REMARK SPARTA+ Protein Chemical Shift Prediction Table REMARK REMARK All chemical shifts are reported in ppm: REMARK REMARK SS_SHIFT is the predicted secondary chemical shift. REMARK SHIFT is the predicted chemical shift. REMARK RC_SHIFT is the random coil chemical shift. REMARK HM_SHIFT is the ring current shift; a correction REMARK of 0.6 times this value is applied. REMARK EF_SHIFT is the adjustment for electric field effect, REMARK applied to proton shifts only. REMARK SIGMA is the estimated prediction error. REMARK REMARK Reference: REMARK Y. Shen and A. Bax: SPARTA+: a modest improvement in empirical NMR REMARK chemical shift prediction by means of an artificial neural network. REMARK J. Biomol. NMR 48, 13-22 (2010). DATA SOURCE 2c3u_1_A DATA FIRST_RESID 2 DATA SEQUENCE GKKMMTTDGN TATAHVAYAM SEVAAIYPIT PSSTMGEEAD DWAAQGRKNI DATA SEQUENCE FGQTLTIREM QSEAGAAGAV HGALAAGALT TTFTASQGLL LMIPNMYKIS DATA SEQUENCE GELLPGVFHV TARAIAAHAL SIFGDHQDIY AARQTGFAML ASSSVQEAHD DATA SEQUENCE MALVAHLAAI ESNVPFMHFF DGFRTSHEIQ KIEVLDYADM ASLVNQKALA DATA SEQUENCE EFRAKSMNPE HPHVRGTAQN PDIYFQGREA ANPYYLKVPG IVAEYMQKVA DATA SEQUENCE SLTGRSYKLF DYVGAPDAER VIVSMGSSCE TIEEVINHLA AKGEKIGLIK DATA SEQUENCE VRLYRPFVSE AFFAALPASA KVITVLDRTK EPGAPGDPLY LDVCSAFVER DATA SEQUENCE GEAMPKILAG RYGLGSKEFS PAMVKSVYDN MSGAKKNHFT VGIEDDVTGT DATA SEQUENCE SLPVDNAFAD TTPKGTIQCQ FWGLGADGTV GANKQAIKII GDNTDLFAQG DATA SEQUENCE YFSYDSKKSG GITISHLRFG EKPIQSTYLV NRADYVACHN PAYVGIYDIL DATA SEQUENCE EGIKDGGTFV LNSPWSSLED MDKHLPSGIK RTIANKKLKF YNIDAVKIAT DATA SEQUENCE DVGLGGRINM IMQTAFFKLA GVLPFEKAVD LLKKSIHKAY GKKGEKIVKM DATA SEQUENCE NTDAVDQAVT SLQEFKYPDS WKDAPAETKA EPMTNEFFKN VVKPILTQQG DATA SEQUENCE DKLPVSAFEA DGRFPLGTSQ FEKRGVAINV PQWVPENCIQ CNQCAFVCPH DATA SEQUENCE SAILPVLAKE EELVGAPANF TALEAKGKEL KGYKFRIQIN TLDCMGCGNC DATA SEQUENCE ADICPPKEKA LVMQPLDTQR DAQVPNLEYA ARIPVKSEVL PRDSLKGSQF DATA SEQUENCE QEPLMEFSGA CSGCGETPYV RVITQLFGER MFIANATGCS SIWGASAPSM DATA SEQUENCE PYKTNRLGQG PAWGNSLFED AAEYGFGMNM SMFARRTHLA DLAAKALESD DATA SEQUENCE ASGDVKEALQ GWLAGKNDPI KSKEYGDKLK KLLAGQKDGL LGQIAAMSDL DATA SEQUENCE YTKKSVWIFG GDGWAYDIGY GGLDHVLASG EDVNVFVMDT EVYSNTGGQS DATA SEQUENCE SKATPTGAVA KFAAAGKRTG KKDLARMVMT YGYVYVATVS MGYSKQQFLK DATA SEQUENCE VLKEAESFPG PSLVIAYATC INQGLRKGMG KSQDVMNTAV KSGYWPLFRY DATA SEQUENCE DPRLAAQGKN PFQLDSKAPD GSVEEFLMAQ NRFAVLDRSF PEDAKRLRAQ DATA SEQUENCE VAHELDVRFK ELEHMAATNI FESFAPAGGK ADGSVDFGEG AEFcTRDDTP DATA SEQUENCE MMARPDSGEA cDQNRAGTSE QQGDLSKRTK K VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 2 G HA2 0.000 nan 3.960 nan 0.000 0.244 2 G HA3 0.000 3.959 3.960 -0.001 0.000 0.244 2 G C 0.000 174.911 174.900 0.018 0.000 0.946 2 G CA 0.000 45.110 45.100 0.017 0.000 0.502 3 K N -0.186 120.216 120.400 0.005 0.000 2.386 3 K HA 0.636 4.955 4.320 -0.001 0.000 0.249 3 K C -0.282 176.300 176.600 -0.030 0.000 1.055 3 K CA -0.292 55.989 56.287 -0.010 0.000 0.930 3 K CB 0.592 33.082 32.500 -0.017 0.000 1.230 3 K HN 0.607 nan 8.250 nan 0.000 0.507 4 K N 0.657 121.024 120.400 -0.055 0.000 2.633 4 K HA 0.074 4.393 4.320 -0.001 0.000 0.268 4 K C -1.495 175.048 176.600 -0.095 0.000 1.005 4 K CA -0.442 55.803 56.287 -0.071 0.000 0.976 4 K CB 0.656 33.111 32.500 -0.075 0.000 1.372 4 K HN 0.329 nan 8.250 nan 0.000 0.420 5 M N 4.001 123.552 119.600 -0.082 0.000 2.250 5 M HA 0.451 4.930 4.480 -0.001 0.000 0.344 5 M C -0.100 176.149 176.300 -0.086 0.000 1.150 5 M CA 0.096 55.345 55.300 -0.084 0.000 1.147 5 M CB 0.763 33.319 32.600 -0.073 0.000 1.498 5 M HN 0.859 nan 8.290 nan 0.000 0.461 6 M N 1.812 121.363 119.600 -0.083 0.000 2.471 6 M HA 0.364 4.844 4.480 -0.001 0.000 0.284 6 M C -1.314 174.963 176.300 -0.039 0.000 1.203 6 M CA -0.343 54.913 55.300 -0.074 0.000 0.915 6 M CB 2.425 34.950 32.600 -0.125 0.000 1.734 6 M HN 0.785 nan 8.290 nan 0.000 0.485 7 T N 0.950 115.498 114.554 -0.010 0.000 2.809 7 T HA 0.865 5.214 4.350 -0.001 0.000 0.296 7 T C -0.530 174.187 174.700 0.028 0.000 1.015 7 T CA -0.000 62.113 62.100 0.022 0.000 0.954 7 T CB 0.958 69.856 68.868 0.050 0.000 0.950 7 T HN 0.854 nan 8.240 nan 0.000 0.450 8 T N 0.664 115.236 114.554 0.032 0.000 2.626 8 T HA 0.685 5.034 4.350 -0.001 0.000 0.299 8 T C -1.394 173.337 174.700 0.051 0.000 1.181 8 T CA -0.861 61.264 62.100 0.041 0.000 1.053 8 T CB 1.059 69.948 68.868 0.035 0.000 1.566 8 T HN 0.682 nan 8.240 nan 0.000 0.486 9 D N -1.021 119.406 120.400 0.044 0.000 2.506 9 D HA 0.547 5.186 4.640 -0.001 0.000 0.254 9 D C 1.623 177.935 176.300 0.021 0.000 1.089 9 D CA -0.335 53.697 54.000 0.053 0.000 1.050 9 D CB 0.187 41.011 40.800 0.041 0.000 1.221 9 D HN 0.766 nan 8.370 nan 0.000 0.589 10 G N -0.389 108.425 108.800 0.023 0.000 2.469 10 G HA2 -0.344 3.615 3.960 -0.001 0.000 0.219 10 G HA3 -0.344 3.615 3.960 -0.001 0.000 0.219 10 G C 1.177 175.972 174.900 -0.176 0.000 1.150 10 G CA 0.928 45.940 45.100 -0.146 0.000 0.763 10 G HN 0.627 nan 8.290 nan 0.000 0.561 11 N N -0.059 118.677 118.700 0.060 0.000 2.013 11 N HA -0.150 4.589 4.740 -0.001 0.000 0.195 11 N C 2.612 178.145 175.510 0.039 0.000 1.051 11 N CA 2.166 55.283 53.050 0.113 0.000 0.851 11 N CB -0.333 38.162 38.487 0.014 0.000 1.044 11 N HN 0.431 nan 8.380 nan 0.000 0.422 12 T N -0.986 113.583 114.554 0.025 0.000 2.788 12 T HA -0.046 4.303 4.350 -0.001 0.000 0.268 12 T C 1.925 176.751 174.700 0.209 0.000 1.044 12 T CA 1.137 63.310 62.100 0.121 0.000 1.139 12 T CB -0.438 68.508 68.868 0.130 0.000 0.867 12 T HN 0.224 nan 8.240 nan 0.000 0.454 13 A N 1.902 124.784 122.820 0.104 0.000 1.933 13 A HA -0.037 4.282 4.320 -0.001 0.000 0.218 13 A C 2.776 180.452 177.584 0.152 0.000 1.175 13 A CA 2.445 54.552 52.037 0.116 0.000 0.628 13 A CB -1.415 17.610 19.000 0.041 0.000 0.814 13 A HN 0.790 nan 8.150 nan 0.000 0.444 14 T N -3.097 111.488 114.554 0.051 0.000 2.937 14 T HA 0.257 4.606 4.350 -0.001 0.000 0.260 14 T C 1.909 176.663 174.700 0.090 0.000 1.051 14 T CA 1.284 63.401 62.100 0.028 0.000 1.141 14 T CB -0.426 68.464 68.868 0.036 0.000 0.879 14 T HN 0.520 nan 8.240 nan 0.000 0.459 15 A N 1.334 124.256 122.820 0.171 0.000 2.070 15 A HA -0.118 4.202 4.320 -0.001 0.000 0.220 15 A C 2.285 180.214 177.584 0.575 0.000 1.159 15 A CA 1.488 53.671 52.037 0.242 0.000 0.656 15 A CB -1.230 17.743 19.000 -0.046 0.000 0.800 15 A HN 0.794 nan 8.150 nan 0.000 0.453 16 H N -0.065 119.275 119.070 0.449 0.000 2.321 16 H HA -0.103 4.452 4.556 -0.001 0.000 0.300 16 H C 1.890 177.357 175.328 0.232 0.000 1.087 16 H CA 2.234 58.493 56.048 0.352 0.000 1.319 16 H CB 0.056 29.956 29.762 0.230 0.000 1.379 16 H HN 0.261 nan 8.280 nan 0.000 0.501 17 V N 1.235 121.201 119.914 0.086 0.000 2.346 17 V HA -0.155 3.964 4.120 -0.001 0.000 0.244 17 V C 3.112 179.063 176.094 -0.239 0.000 1.037 17 V CA 1.310 63.502 62.300 -0.179 0.000 1.029 17 V CB -1.145 30.550 31.823 -0.214 0.000 0.663 17 V HN 0.567 nan 8.190 nan 0.000 0.454 18 A N -0.738 122.060 122.820 -0.037 0.000 1.917 18 A HA -0.312 4.008 4.320 -0.001 0.000 0.219 18 A C 2.169 179.815 177.584 0.103 0.000 1.182 18 A CA 2.336 54.426 52.037 0.089 0.000 0.633 18 A CB -0.862 18.414 19.000 0.460 0.000 0.819 18 A HN 0.649 nan 8.150 nan 0.000 0.448 19 Y N 0.362 120.743 120.300 0.135 0.000 2.145 19 Y HA -0.116 4.434 4.550 -0.001 0.000 0.286 19 Y C 2.711 178.556 175.900 -0.090 0.000 1.145 19 Y CA 1.574 59.779 58.100 0.175 0.000 1.148 19 Y CB -0.403 38.315 38.460 0.429 0.000 0.981 19 Y HN 0.327 nan 8.280 nan 0.000 0.507 20 A N -0.013 122.657 122.820 -0.249 0.000 1.908 20 A HA -0.196 4.123 4.320 -0.001 0.000 0.218 20 A C 1.942 179.225 177.584 -0.500 0.000 1.181 20 A CA 2.034 53.611 52.037 -0.766 0.000 0.627 20 A CB -0.538 17.450 19.000 -1.686 0.000 0.818 20 A HN 0.497 nan 8.150 nan 0.000 0.445 21 M N 0.133 119.453 119.600 -0.466 0.000 2.495 21 M HA 0.189 4.668 4.480 -0.001 0.000 0.237 21 M C -0.069 176.159 176.300 -0.119 0.000 1.131 21 M CA 0.308 55.377 55.300 -0.386 0.000 1.032 21 M CB -0.787 31.410 32.600 -0.672 0.000 1.513 21 M HN 0.183 nan 8.290 nan 0.000 0.488 22 S N -0.005 115.654 115.700 -0.068 0.000 2.568 22 S HA 0.401 4.870 4.470 -0.001 0.000 0.302 22 S C 0.723 175.361 174.600 0.064 0.000 1.082 22 S CA -0.739 57.500 58.200 0.065 0.000 1.009 22 S CB 2.414 65.668 63.200 0.089 0.000 1.069 22 S HN 0.239 nan 8.310 nan 0.000 0.500 23 E N 0.218 120.480 120.200 0.104 0.000 2.340 23 E HA 0.195 4.544 4.350 -0.001 0.000 0.198 23 E C -0.329 176.289 176.600 0.029 0.000 0.961 23 E CA 0.394 56.833 56.400 0.066 0.000 0.905 23 E CB 0.489 30.207 29.700 0.029 0.000 0.884 23 E HN 0.259 nan 8.360 nan 0.000 0.491 24 V N 0.591 120.533 119.914 0.047 0.000 2.925 24 V HA 0.674 4.793 4.120 -0.001 0.000 0.311 24 V C -1.244 174.879 176.094 0.047 0.000 1.104 24 V CA -0.973 61.353 62.300 0.044 0.000 0.954 24 V CB 1.940 33.794 31.823 0.052 0.000 1.022 24 V HN 0.127 nan 8.190 nan 0.000 0.427 25 A N 2.721 125.569 122.820 0.046 0.000 2.402 25 A HA 0.909 5.229 4.320 -0.001 0.000 0.291 25 A C -0.460 177.138 177.584 0.022 0.000 1.051 25 A CA -0.173 51.882 52.037 0.030 0.000 0.716 25 A CB 1.528 20.591 19.000 0.105 0.000 1.223 25 A HN 1.475 nan 8.150 nan 0.000 0.425 26 A N 2.651 125.460 122.820 -0.019 0.000 2.258 26 A HA 0.746 5.065 4.320 -0.001 0.000 0.316 26 A C -0.664 176.894 177.584 -0.043 0.000 1.279 26 A CA -0.172 51.853 52.037 -0.020 0.000 0.876 26 A CB -0.010 18.982 19.000 -0.013 0.000 1.170 26 A HN 0.734 nan 8.150 nan 0.000 0.520 27 I N 1.341 121.890 120.570 -0.034 0.000 2.846 27 I HA 0.622 4.791 4.170 -0.001 0.000 0.307 27 I C -0.967 175.150 176.117 0.001 0.000 1.053 27 I CA -0.538 60.744 61.300 -0.030 0.000 1.050 27 I CB 2.080 40.036 38.000 -0.074 0.000 1.239 27 I HN 0.610 nan 8.210 nan 0.000 0.439 28 Y N 5.534 125.779 120.300 -0.092 0.000 2.436 28 Y HA 0.509 5.058 4.550 -0.001 0.000 0.327 28 Y C -2.660 173.264 175.900 0.039 0.000 1.138 28 Y CA -1.848 56.232 58.100 -0.033 0.000 1.042 28 Y CB 2.106 40.577 38.460 0.019 0.000 1.302 28 Y HN 0.341 nan 8.280 nan 0.000 0.439 29 P HA 0.469 nan 4.420 nan 0.000 0.281 29 P C -1.099 176.188 177.300 -0.022 0.000 1.252 29 P CA -0.005 63.033 63.100 -0.103 0.000 0.778 29 P CB 2.079 33.754 31.700 -0.042 0.000 0.895 30 I N 1.372 121.962 120.570 0.032 0.000 2.710 30 I HA 0.180 4.349 4.170 -0.001 0.000 0.290 30 I C -0.625 175.477 176.117 -0.024 0.000 1.318 30 I CA -0.360 60.953 61.300 0.022 0.000 1.045 30 I CB 2.234 40.283 38.000 0.082 0.000 1.307 30 I HN 0.168 nan 8.210 nan 0.000 0.424 31 T N 8.623 123.138 114.554 -0.065 0.000 2.930 31 T HA 0.236 4.586 4.350 -0.001 0.000 0.306 31 T C -2.053 172.558 174.700 -0.148 0.000 1.045 31 T CA -0.591 61.442 62.100 -0.113 0.000 1.134 31 T CB 0.726 69.527 68.868 -0.112 0.000 0.961 31 T HN 0.492 nan 8.240 nan 0.000 0.545 32 P HA 0.144 nan 4.420 nan 0.000 0.263 32 P C 0.868 178.101 177.300 -0.112 0.000 1.448 32 P CA -0.108 62.779 63.100 -0.355 0.000 0.983 32 P CB 0.106 31.236 31.700 -0.949 0.000 1.481 33 S N -1.849 113.809 115.700 -0.071 0.000 2.528 33 S HA -0.006 4.463 4.470 -0.001 0.000 0.219 33 S C 1.831 176.430 174.600 -0.002 0.000 0.985 33 S CA 0.365 58.561 58.200 -0.007 0.000 0.914 33 S CB -0.924 62.300 63.200 0.039 0.000 0.776 33 S HN -0.007 nan 8.310 nan 0.000 0.526 34 S N 2.438 118.133 115.700 -0.009 0.000 2.381 34 S HA -0.185 4.284 4.470 -0.001 0.000 0.230 34 S C 1.956 176.520 174.600 -0.060 0.000 1.052 34 S CA 2.133 60.334 58.200 0.001 0.000 1.068 34 S CB -1.298 61.901 63.200 -0.001 0.000 0.918 34 S HN 0.748 nan 8.310 nan 0.000 0.448 35 T N 2.465 116.951 114.554 -0.114 0.000 2.721 35 T HA -0.137 4.212 4.350 -0.001 0.000 0.268 35 T C 1.734 176.262 174.700 -0.287 0.000 1.038 35 T CA 1.470 63.454 62.100 -0.194 0.000 1.145 35 T CB -0.387 68.352 68.868 -0.215 0.000 0.858 35 T HN 0.376 nan 8.240 nan 0.000 0.459 36 M N 0.632 120.035 119.600 -0.329 0.000 2.067 36 M HA -0.027 4.453 4.480 -0.001 0.000 0.260 36 M C 2.880 178.682 176.300 -0.831 0.000 1.069 36 M CA 1.898 56.801 55.300 -0.662 0.000 1.117 36 M CB -0.892 31.177 32.600 -0.886 0.000 1.334 36 M HN 0.398 nan 8.290 nan 0.000 0.407 37 G N 0.048 108.521 108.800 -0.544 0.000 2.422 37 G HA2 -0.200 3.760 3.960 -0.001 0.000 0.218 37 G HA3 -0.200 3.760 3.960 -0.001 0.000 0.218 37 G C 1.317 176.254 174.900 0.062 0.000 1.146 37 G CA 0.822 45.905 45.100 -0.028 0.000 0.769 37 G HN 0.521 nan 8.290 nan 0.000 0.547 38 E N 0.245 120.360 120.200 -0.141 0.000 2.106 38 E HA -0.071 4.278 4.350 -0.001 0.000 0.192 38 E C 2.441 178.755 176.600 -0.478 0.000 0.984 38 E CA 0.736 56.877 56.400 -0.431 0.000 0.806 38 E CB -0.018 29.443 29.700 -0.398 0.000 0.750 38 E HN 0.398 nan 8.360 nan 0.000 0.458 39 E N 0.746 120.597 120.200 -0.580 0.000 2.077 39 E HA -0.176 4.173 4.350 -0.001 0.000 0.193 39 E C 2.160 178.042 176.600 -1.197 0.000 0.989 39 E CA 0.969 56.771 56.400 -0.997 0.000 0.800 39 E CB -0.166 28.819 29.700 -1.192 0.000 0.746 39 E HN 0.216 nan 8.360 nan 0.000 0.452 40 A N 1.567 123.989 122.820 -0.664 0.000 1.908 40 A HA -0.251 4.068 4.320 -0.001 0.000 0.218 40 A C 1.973 179.618 177.584 0.100 0.000 1.181 40 A CA 2.092 54.088 52.037 -0.069 0.000 0.627 40 A CB -0.649 18.489 19.000 0.231 0.000 0.818 40 A HN 0.209 nan 8.150 nan 0.000 0.445 41 D N -0.573 119.824 120.400 -0.004 0.000 2.117 41 D HA -0.136 4.504 4.640 -0.001 0.000 0.197 41 D C 1.334 177.615 176.300 -0.032 0.000 0.987 41 D CA 1.468 55.489 54.000 0.034 0.000 0.829 41 D CB -0.119 40.618 40.800 -0.104 0.000 0.961 41 D HN 0.373 nan 8.370 nan 0.000 0.460 42 D N -0.609 119.678 120.400 -0.189 0.000 2.104 42 D HA -0.151 4.489 4.640 -0.001 0.000 0.194 42 D C 1.775 178.115 176.300 0.067 0.000 0.994 42 D CA 0.746 54.676 54.000 -0.118 0.000 0.830 42 D CB -0.316 40.354 40.800 -0.218 0.000 0.959 42 D HN 0.426 nan 8.370 nan 0.000 0.452 43 W N 1.327 122.588 121.300 -0.064 0.000 2.363 43 W HA 0.087 4.746 4.660 -0.001 0.000 0.296 43 W C 2.496 178.988 176.519 -0.046 0.000 1.212 43 W CA 0.620 57.864 57.345 -0.170 0.000 1.260 43 W CB -1.334 27.830 29.460 -0.493 0.000 1.131 43 W HN -0.029 nan 8.180 nan 0.000 0.530 44 A N 0.623 123.668 122.820 0.376 0.000 1.902 44 A HA -0.026 4.294 4.320 -0.001 0.000 0.217 44 A C 2.264 179.982 177.584 0.222 0.000 1.181 44 A CA 2.794 55.069 52.037 0.398 0.000 0.623 44 A CB -1.095 18.131 19.000 0.377 0.000 0.818 44 A HN 0.131 nan 8.150 nan 0.000 0.443 45 A N -0.820 122.094 122.820 0.157 0.000 1.969 45 A HA -0.159 4.160 4.320 -0.001 0.000 0.218 45 A C 2.029 179.674 177.584 0.102 0.000 1.169 45 A CA 1.496 53.594 52.037 0.102 0.000 0.635 45 A CB -0.471 18.569 19.000 0.067 0.000 0.810 45 A HN 0.654 nan 8.150 nan 0.000 0.445 46 Q N -1.717 118.152 119.800 0.114 0.000 2.436 46 Q HA 0.204 4.543 4.340 -0.001 0.000 0.209 46 Q C 1.104 177.147 176.000 0.072 0.000 0.965 46 Q CA 0.520 56.377 55.803 0.090 0.000 0.910 46 Q CB 0.038 28.829 28.738 0.088 0.000 0.980 46 Q HN 0.892 nan 8.270 nan 0.000 0.491 47 G N 1.485 110.343 108.800 0.097 0.000 2.148 47 G HA2 -0.272 3.687 3.960 -0.001 0.000 0.203 47 G HA3 -0.272 3.687 3.960 -0.001 0.000 0.203 47 G C -0.055 174.898 174.900 0.088 0.000 0.993 47 G CA -0.184 44.970 45.100 0.090 0.000 0.661 47 G HN 0.236 nan 8.290 nan 0.000 0.518 48 R N 0.657 121.203 120.500 0.076 0.000 2.522 48 R HA 0.433 4.773 4.340 -0.001 0.000 0.284 48 R C 0.106 176.562 176.300 0.260 0.000 1.032 48 R CA 0.237 56.341 56.100 0.007 0.000 1.049 48 R CB 0.371 30.497 30.300 -0.291 0.000 0.956 48 R HN -0.008 nan 8.270 nan 0.000 0.422 49 K N 2.883 123.425 120.400 0.236 0.000 2.123 49 K HA 0.208 4.527 4.320 -0.001 0.000 0.259 49 K C -0.206 176.665 176.600 0.453 0.000 0.960 49 K CA -0.909 55.569 56.287 0.319 0.000 0.872 49 K CB 1.311 33.917 32.500 0.178 0.000 1.079 49 K HN 0.715 nan 8.250 nan 0.000 0.440 50 N N 0.656 119.560 118.700 0.339 0.000 2.443 50 N HA 0.117 4.857 4.740 -0.001 0.000 0.294 50 N C 1.238 176.765 175.510 0.028 0.000 1.289 50 N CA -0.442 52.712 53.050 0.174 0.000 0.966 50 N CB -0.113 38.377 38.487 0.005 0.000 1.122 50 N HN 0.629 nan 8.380 nan 0.000 0.569 51 I N -4.515 115.900 120.570 -0.259 0.000 2.916 51 I HA 0.049 4.218 4.170 -0.001 0.000 0.267 51 I C 0.280 176.130 176.117 -0.445 0.000 1.263 51 I CA 1.141 62.208 61.300 -0.388 0.000 1.471 51 I CB -0.555 37.080 38.000 -0.608 0.000 1.089 51 I HN 0.206 nan 8.210 nan 0.000 0.468 52 F N 2.006 121.969 119.950 0.022 0.000 2.693 52 F HA 0.449 4.976 4.527 -0.001 0.000 0.303 52 F C 1.846 177.673 175.800 0.044 0.000 1.097 52 F CA 0.347 58.364 58.000 0.029 0.000 1.330 52 F CB 0.432 39.444 39.000 0.021 0.000 1.067 52 F HN 0.260 nan 8.300 nan 0.000 0.565 53 G N 0.338 109.232 108.800 0.157 0.000 2.147 53 G HA2 -0.218 3.741 3.960 -0.001 0.000 0.244 53 G HA3 -0.218 3.741 3.960 -0.001 0.000 0.244 53 G C -0.001 174.990 174.900 0.152 0.000 1.005 53 G CA -0.188 44.995 45.100 0.138 0.000 0.713 53 G HN 0.259 nan 8.290 nan 0.000 0.515 54 Q N 0.269 120.178 119.800 0.182 0.000 2.351 54 Q HA 0.638 4.977 4.340 -0.001 0.000 0.273 54 Q C 0.532 176.635 176.000 0.172 0.000 1.077 54 Q CA 0.060 55.957 55.803 0.157 0.000 0.843 54 Q CB 1.425 30.248 28.738 0.141 0.000 1.367 54 Q HN 0.600 nan 8.270 nan 0.000 0.449 55 T N -1.549 113.101 114.554 0.160 0.000 2.897 55 T HA 0.395 4.744 4.350 -0.001 0.000 0.294 55 T C 0.326 175.085 174.700 0.100 0.000 1.004 55 T CA -0.805 61.422 62.100 0.213 0.000 1.106 55 T CB 0.533 69.519 68.868 0.196 0.000 0.949 55 T HN 0.399 nan 8.240 nan 0.000 0.520 56 L N 2.882 124.097 121.223 -0.013 0.000 2.485 56 L HA 0.294 4.633 4.340 -0.001 0.000 0.275 56 L C 0.417 177.298 176.870 0.019 0.000 1.207 56 L CA 0.658 55.402 54.840 -0.159 0.000 0.855 56 L CB 0.462 42.231 42.059 -0.482 0.000 1.114 56 L HN 0.873 nan 8.230 nan 0.000 0.485 57 T N 6.875 121.440 114.554 0.019 0.000 2.811 57 T HA 0.538 4.888 4.350 -0.001 0.000 0.309 57 T C -0.312 174.426 174.700 0.063 0.000 1.005 57 T CA -0.008 62.121 62.100 0.049 0.000 0.955 57 T CB -0.378 68.511 68.868 0.035 0.000 0.970 57 T HN 0.329 nan 8.240 nan 0.000 0.496 58 I N 3.692 124.319 120.570 0.095 0.000 2.474 58 I HA 0.581 4.751 4.170 -0.001 0.000 0.294 58 I C 0.190 176.358 176.117 0.086 0.000 1.005 58 I CA -0.782 60.587 61.300 0.115 0.000 1.113 58 I CB 1.341 39.462 38.000 0.202 0.000 1.289 58 I HN 0.204 nan 8.210 nan 0.000 0.436 59 R N 3.436 123.960 120.500 0.040 0.000 2.725 59 R HA 0.451 4.790 4.340 -0.001 0.000 0.277 59 R C -0.953 175.304 176.300 -0.071 0.000 0.987 59 R CA -0.883 55.219 56.100 0.003 0.000 0.901 59 R CB 2.290 32.596 30.300 0.010 0.000 1.207 59 R HN 0.722 nan 8.270 nan 0.000 0.463 60 E N 3.217 123.346 120.200 -0.119 0.000 2.175 60 E HA 0.319 4.668 4.350 -0.001 0.000 0.278 60 E C -0.301 176.285 176.600 -0.023 0.000 0.969 60 E CA -0.545 55.739 56.400 -0.194 0.000 0.796 60 E CB 0.920 30.397 29.700 -0.372 0.000 1.104 60 E HN 0.208 nan 8.360 nan 0.000 0.395 61 M N 2.395 122.040 119.600 0.075 0.000 2.513 61 M HA 0.062 4.541 4.480 -0.001 0.000 0.250 61 M C 1.052 177.488 176.300 0.226 0.000 1.145 61 M CA -0.279 55.084 55.300 0.106 0.000 0.948 61 M CB 0.623 33.252 32.600 0.048 0.000 1.405 61 M HN 0.654 nan 8.290 nan 0.000 0.546 62 Q N 0.746 120.603 119.800 0.095 0.000 2.398 62 Q HA 0.066 4.405 4.340 -0.001 0.000 0.204 62 Q C -0.231 175.629 176.000 -0.234 0.000 0.932 62 Q CA 0.635 56.495 55.803 0.095 0.000 0.916 62 Q CB 0.311 29.070 28.738 0.034 0.000 1.024 62 Q HN 0.737 nan 8.270 nan 0.000 0.504 63 S N -1.532 113.803 115.700 -0.609 0.000 2.643 63 S HA 0.292 4.761 4.470 -0.001 0.000 0.266 63 S C -0.299 173.877 174.600 -0.706 0.000 1.130 63 S CA -0.472 57.032 58.200 -1.161 0.000 0.817 63 S CB 0.704 63.574 63.200 -0.550 0.000 1.107 63 S HN -0.043 nan 8.310 nan 0.000 0.471 64 E N 0.804 120.696 120.200 -0.514 0.000 2.204 64 E HA 0.139 4.488 4.350 -0.001 0.000 0.194 64 E C 2.099 178.613 176.600 -0.143 0.000 0.989 64 E CA 1.463 57.751 56.400 -0.186 0.000 0.824 64 E CB -0.455 29.194 29.700 -0.085 0.000 0.756 64 E HN 0.699 nan 8.360 nan 0.000 0.477 65 A N 0.538 123.266 122.820 -0.154 0.000 1.898 65 A HA -0.059 4.260 4.320 -0.001 0.000 0.216 65 A C 2.427 179.969 177.584 -0.070 0.000 1.181 65 A CA 1.641 53.625 52.037 -0.088 0.000 0.620 65 A CB -1.156 17.791 19.000 -0.088 0.000 0.819 65 A HN 0.363 nan 8.150 nan 0.000 0.442 66 G N -0.560 108.177 108.800 -0.106 0.000 2.422 66 G HA2 0.020 3.979 3.960 -0.001 0.000 0.218 66 G HA3 0.020 3.979 3.960 -0.001 0.000 0.218 66 G C 1.706 176.583 174.900 -0.038 0.000 1.146 66 G CA 1.418 46.478 45.100 -0.065 0.000 0.769 66 G HN 0.771 nan 8.290 nan 0.000 0.547 67 A N 1.176 123.964 122.820 -0.054 0.000 1.898 67 A HA 0.338 4.657 4.320 -0.001 0.000 0.216 67 A C 2.814 180.377 177.584 -0.034 0.000 1.181 67 A CA 2.082 54.096 52.037 -0.038 0.000 0.620 67 A CB -0.783 18.190 19.000 -0.045 0.000 0.819 67 A HN 0.757 nan 8.150 nan 0.000 0.442 68 A N -0.446 122.352 122.820 -0.038 0.000 1.933 68 A HA 0.104 4.423 4.320 -0.001 0.000 0.218 68 A C 2.350 180.012 177.584 0.130 0.000 1.175 68 A CA 1.932 53.993 52.037 0.040 0.000 0.628 68 A CB -1.267 17.768 19.000 0.057 0.000 0.814 68 A HN 0.701 nan 8.150 nan 0.000 0.444 69 G N -0.700 108.155 108.800 0.091 0.000 2.402 69 G HA2 0.067 4.026 3.960 -0.001 0.000 0.216 69 G HA3 0.067 4.026 3.960 -0.001 0.000 0.216 69 G C 1.703 176.661 174.900 0.097 0.000 1.162 69 G CA 1.228 46.399 45.100 0.118 0.000 0.777 69 G HN 0.766 nan 8.290 nan 0.000 0.539 70 A N 0.103 122.957 122.820 0.057 0.000 1.930 70 A HA 0.150 4.469 4.320 -0.001 0.000 0.217 70 A C 2.567 180.196 177.584 0.076 0.000 1.175 70 A CA 1.568 53.630 52.037 0.041 0.000 0.627 70 A CB -0.500 18.513 19.000 0.020 0.000 0.815 70 A HN 0.224 nan 8.150 nan 0.000 0.443 71 V N -0.414 119.564 119.914 0.106 0.000 2.295 71 V HA -0.306 3.813 4.120 -0.001 0.000 0.246 71 V C 2.440 178.676 176.094 0.236 0.000 1.049 71 V CA 2.282 64.675 62.300 0.156 0.000 1.024 71 V CB -0.959 30.974 31.823 0.183 0.000 0.648 71 V HN 0.853 nan 8.190 nan 0.000 0.447 72 H N -0.108 119.043 119.070 0.134 0.000 2.353 72 H HA -0.141 4.414 4.556 -0.001 0.000 0.300 72 H C 2.254 177.639 175.328 0.095 0.000 1.090 72 H CA 1.344 57.468 56.048 0.127 0.000 1.327 72 H CB -0.136 29.696 29.762 0.118 0.000 1.383 72 H HN 0.456 nan 8.280 nan 0.000 0.508 73 G N 0.146 108.958 108.800 0.020 0.000 2.421 73 G HA2 -0.262 3.697 3.960 -0.001 0.000 0.216 73 G HA3 -0.262 3.697 3.960 -0.001 0.000 0.216 73 G C 1.877 176.782 174.900 0.007 0.000 1.171 73 G CA 0.769 45.824 45.100 -0.074 0.000 0.775 73 G HN 0.552 nan 8.290 nan 0.000 0.543 74 A N 0.412 123.268 122.820 0.060 0.000 1.902 74 A HA 0.119 4.438 4.320 -0.001 0.000 0.217 74 A C 2.443 180.104 177.584 0.130 0.000 1.181 74 A CA 1.259 53.340 52.037 0.074 0.000 0.623 74 A CB -0.369 18.681 19.000 0.083 0.000 0.818 74 A HN 0.355 nan 8.150 nan 0.000 0.443 75 L N -0.877 120.465 121.223 0.198 0.000 2.056 75 L HA -0.136 4.203 4.340 -0.001 0.000 0.207 75 L C 3.068 180.100 176.870 0.269 0.000 1.078 75 L CA 0.997 56.026 54.840 0.315 0.000 0.749 75 L CB -0.480 41.751 42.059 0.287 0.000 0.901 75 L HN 0.408 nan 8.230 nan 0.000 0.433 76 A N -0.026 122.906 122.820 0.186 0.000 1.972 76 A HA -0.094 4.226 4.320 -0.001 0.000 0.219 76 A C 2.141 179.742 177.584 0.028 0.000 1.169 76 A CA 1.595 53.705 52.037 0.122 0.000 0.635 76 A CB -0.567 18.457 19.000 0.041 0.000 0.810 76 A HN 0.380 nan 8.150 nan 0.000 0.446 77 A N -1.510 121.307 122.820 -0.005 0.000 2.411 77 A HA 0.454 4.773 4.320 -0.001 0.000 0.251 77 A C 1.482 178.991 177.584 -0.126 0.000 1.317 77 A CA 0.885 52.885 52.037 -0.061 0.000 0.904 77 A CB -1.177 17.793 19.000 -0.051 0.000 0.993 77 A HN 1.868 nan 8.150 nan 0.000 0.504 78 G N -1.987 106.667 108.800 -0.244 0.000 2.137 78 G HA2 0.150 4.109 3.960 -0.001 0.000 0.237 78 G HA3 0.150 4.109 3.960 -0.001 0.000 0.237 78 G C 0.185 174.926 174.900 -0.266 0.000 1.002 78 G CA 0.238 45.003 45.100 -0.559 0.000 0.702 78 G HN 1.733 nan 8.290 nan 0.000 0.515 79 A N -0.104 122.775 122.820 0.097 0.000 2.355 79 A HA 0.820 5.139 4.320 -0.001 0.000 0.317 79 A C 0.275 178.081 177.584 0.370 0.000 1.094 79 A CA -0.688 51.471 52.037 0.203 0.000 0.764 79 A CB 1.080 20.128 19.000 0.079 0.000 1.230 79 A HN 0.772 nan 8.150 nan 0.000 0.448 80 L N 2.031 123.433 121.223 0.298 0.000 2.455 80 L HA 0.337 4.676 4.340 -0.001 0.000 0.272 80 L C 0.178 177.133 176.870 0.141 0.000 1.174 80 L CA 0.479 55.415 54.840 0.160 0.000 0.869 80 L CB 0.629 42.782 42.059 0.157 0.000 1.130 80 L HN 0.778 nan 8.230 nan 0.000 0.474 81 T N 0.894 115.520 114.554 0.119 0.000 2.909 81 T HA 0.644 4.993 4.350 -0.001 0.000 0.299 81 T C -0.310 174.460 174.700 0.116 0.000 1.073 81 T CA -0.757 61.412 62.100 0.116 0.000 0.999 81 T CB 2.148 71.091 68.868 0.126 0.000 1.098 81 T HN 0.646 nan 8.240 nan 0.000 0.477 82 T N -0.739 113.854 114.554 0.066 0.000 2.831 82 T HA 0.898 5.248 4.350 -0.001 0.000 0.287 82 T C -0.641 173.907 174.700 -0.255 0.000 1.070 82 T CA -0.946 61.143 62.100 -0.019 0.000 1.010 82 T CB 2.122 70.970 68.868 -0.033 0.000 1.264 82 T HN 0.713 nan 8.240 nan 0.000 0.532 83 T N -0.261 113.975 114.554 -0.530 0.000 2.786 83 T HA 0.613 4.962 4.350 -0.001 0.000 0.316 83 T C -2.196 172.011 174.700 -0.821 0.000 1.503 83 T CA -0.753 60.923 62.100 -0.707 0.000 1.019 83 T CB 0.833 69.365 68.868 -0.561 0.000 1.415 83 T HN 0.504 nan 8.240 nan 0.000 0.496 84 F N 1.400 121.353 119.950 0.005 0.000 2.529 84 F HA 0.773 5.300 4.527 -0.001 0.000 0.320 84 F C 0.641 176.429 175.800 -0.020 0.000 1.118 84 F CA -0.630 57.405 58.000 0.057 0.000 0.915 84 F CB 2.467 41.535 39.000 0.114 0.000 1.161 84 F HN 0.604 nan 8.300 nan 0.000 0.445 85 T N 0.927 115.545 114.554 0.106 0.000 2.648 85 T HA 0.898 5.247 4.350 -0.001 0.000 0.304 85 T C -1.815 172.881 174.700 -0.008 0.000 1.312 85 T CA -0.206 61.912 62.100 0.029 0.000 1.023 85 T CB 1.555 70.386 68.868 -0.061 0.000 1.612 85 T HN 1.188 nan 8.240 nan 0.000 0.487 86 A N 0.180 122.988 122.820 -0.020 0.000 2.544 86 A HA 0.763 5.082 4.320 -0.001 0.000 0.291 86 A C 0.645 178.210 177.584 -0.032 0.000 1.055 86 A CA 0.651 52.660 52.037 -0.046 0.000 0.651 86 A CB 0.372 19.336 19.000 -0.060 0.000 1.296 86 A HN 1.917 nan 8.150 nan 0.000 0.431 87 S N -0.770 114.905 115.700 -0.041 0.000 4.134 87 S HA -0.363 4.106 4.470 -0.001 0.000 0.538 87 S C 1.751 176.341 174.600 -0.016 0.000 1.224 87 S CA 2.483 60.667 58.200 -0.027 0.000 3.613 87 S CB -0.965 62.225 63.200 -0.017 0.000 2.065 87 S HN 1.136 nan 8.310 nan 0.000 0.493 88 Q N 0.930 120.731 119.800 0.001 0.000 2.197 88 Q HA -0.077 4.262 4.340 -0.001 0.000 0.207 88 Q C 2.356 178.366 176.000 0.017 0.000 0.984 88 Q CA 1.999 57.810 55.803 0.014 0.000 0.869 88 Q CB -1.399 27.363 28.738 0.040 0.000 0.906 88 Q HN 0.806 nan 8.270 nan 0.000 0.426 89 G N 1.160 109.977 108.800 0.028 0.000 2.421 89 G HA2 -0.217 3.743 3.960 -0.001 0.000 0.216 89 G HA3 -0.217 3.743 3.960 -0.001 0.000 0.216 89 G C 1.481 176.368 174.900 -0.021 0.000 1.171 89 G CA 0.748 45.863 45.100 0.026 0.000 0.775 89 G HN 0.333 nan 8.290 nan 0.000 0.543 90 L N 0.706 121.909 121.223 -0.034 0.000 2.083 90 L HA 0.096 4.435 4.340 -0.001 0.000 0.209 90 L C 2.698 179.540 176.870 -0.047 0.000 1.083 90 L CA 1.246 56.054 54.840 -0.054 0.000 0.752 90 L CB -0.464 41.554 42.059 -0.069 0.000 0.899 90 L HN 0.208 nan 8.230 nan 0.000 0.433 91 L N -1.206 119.996 121.223 -0.036 0.000 2.042 91 L HA -0.268 4.071 4.340 -0.001 0.000 0.210 91 L C 2.455 179.313 176.870 -0.020 0.000 1.076 91 L CA 1.280 56.104 54.840 -0.026 0.000 0.749 91 L CB -0.670 41.379 42.059 -0.017 0.000 0.893 91 L HN 0.313 nan 8.230 nan 0.000 0.432 92 L N -0.914 120.294 121.223 -0.026 0.000 2.362 92 L HA -0.161 4.179 4.340 -0.001 0.000 0.219 92 L C 2.377 179.233 176.870 -0.023 0.000 1.134 92 L CA 0.926 55.747 54.840 -0.032 0.000 0.807 92 L CB -0.260 41.765 42.059 -0.058 0.000 0.927 92 L HN 0.411 nan 8.230 nan 0.000 0.447 93 M N -1.190 118.398 119.600 -0.020 0.000 2.510 93 M HA -0.048 4.431 4.480 -0.001 0.000 0.256 93 M C 2.094 178.415 176.300 0.034 0.000 1.132 93 M CA 0.475 55.784 55.300 0.014 0.000 1.105 93 M CB 0.135 32.744 32.600 0.015 0.000 1.375 93 M HN 0.123 nan 8.290 nan 0.000 0.477 94 I N 1.219 121.791 120.570 0.003 0.000 2.121 94 I HA -0.266 3.903 4.170 -0.001 0.000 0.243 94 I C -0.483 175.715 176.117 0.134 0.000 1.047 94 I CA 2.277 63.584 61.300 0.010 0.000 1.308 94 I CB -2.570 35.454 38.000 0.041 0.000 1.015 94 I HN 0.142 nan 8.210 nan 0.000 0.410 95 P HA -0.123 nan 4.420 nan 0.000 0.215 95 P C 1.494 178.899 177.300 0.175 0.000 1.153 95 P CA 1.413 64.620 63.100 0.178 0.000 0.853 95 P CB -0.093 31.655 31.700 0.081 0.000 0.788 96 N N -1.483 117.292 118.700 0.125 0.000 2.409 96 N HA 0.016 4.756 4.740 -0.001 0.000 0.179 96 N C 1.600 177.167 175.510 0.095 0.000 1.032 96 N CA 0.876 53.992 53.050 0.110 0.000 0.898 96 N CB -0.276 38.299 38.487 0.147 0.000 0.971 96 N HN 0.197 nan 8.380 nan 0.000 0.441 97 M N -0.674 118.970 119.600 0.072 0.000 2.117 97 M HA -0.168 4.311 4.480 -0.001 0.000 0.262 97 M C 1.603 177.967 176.300 0.107 0.000 1.065 97 M CA 1.412 56.716 55.300 0.005 0.000 1.114 97 M CB -0.415 31.925 32.600 -0.434 0.000 1.361 97 M HN 0.113 nan 8.290 nan 0.000 0.408 98 Y N 0.497 120.821 120.300 0.039 0.000 2.181 98 Y HA -0.225 4.324 4.550 -0.001 0.000 0.288 98 Y C 2.551 178.455 175.900 0.007 0.000 1.146 98 Y CA 1.193 59.316 58.100 0.037 0.000 1.164 98 Y CB -0.220 38.252 38.460 0.021 0.000 0.982 98 Y HN 0.056 nan 8.280 nan 0.000 0.515 99 K N 0.210 120.684 120.400 0.123 0.000 2.057 99 K HA -0.110 4.209 4.320 -0.001 0.000 0.206 99 K C 1.967 178.454 176.600 -0.188 0.000 1.050 99 K CA 1.255 57.505 56.287 -0.061 0.000 0.935 99 K CB -0.506 31.877 32.500 -0.195 0.000 0.715 99 K HN 0.398 nan 8.250 nan 0.000 0.439 100 I N 1.263 121.731 120.570 -0.169 0.000 2.315 100 I HA -0.245 3.924 4.170 -0.001 0.000 0.248 100 I C 2.383 178.418 176.117 -0.137 0.000 1.117 100 I CA 1.276 62.489 61.300 -0.144 0.000 1.404 100 I CB -0.258 37.741 38.000 -0.002 0.000 1.071 100 I HN 0.136 nan 8.210 nan 0.000 0.419 101 S N 0.502 116.153 115.700 -0.081 0.000 2.406 101 S HA 0.012 4.481 4.470 -0.001 0.000 0.224 101 S C 2.184 176.776 174.600 -0.014 0.000 1.030 101 S CA 0.630 58.761 58.200 -0.115 0.000 0.958 101 S CB -0.940 62.251 63.200 -0.016 0.000 0.811 101 S HN 0.415 nan 8.310 nan 0.000 0.489 102 G N 1.450 110.271 108.800 0.034 0.000 2.450 102 G HA2 -0.138 3.821 3.960 -0.001 0.000 0.220 102 G HA3 -0.138 3.821 3.960 -0.001 0.000 0.220 102 G C 1.190 176.096 174.900 0.008 0.000 1.130 102 G CA 0.674 45.803 45.100 0.049 0.000 0.760 102 G HN 0.646 nan 8.290 nan 0.000 0.557 103 E N -0.063 120.130 120.200 -0.013 0.000 2.419 103 E HA 0.338 4.687 4.350 -0.001 0.000 0.190 103 E C 0.269 176.836 176.600 -0.056 0.000 1.040 103 E CA -0.472 55.927 56.400 -0.001 0.000 0.900 103 E CB -0.047 29.695 29.700 0.071 0.000 1.054 103 E HN 0.281 nan 8.360 nan 0.000 0.462 104 L N 1.423 122.570 121.223 -0.127 0.000 3.879 104 L HA -0.247 4.092 4.340 -0.001 0.000 0.481 104 L C -0.659 176.118 176.870 -0.154 0.000 1.232 104 L CA 0.361 55.068 54.840 -0.221 0.000 0.736 104 L CB -1.387 40.442 42.059 -0.384 0.000 1.511 104 L HN 0.318 nan 8.230 nan 0.000 0.830 105 L N 2.417 123.559 121.223 -0.135 0.000 2.317 105 L HA 0.408 4.747 4.340 -0.001 0.000 0.281 105 L C -1.261 175.483 176.870 -0.211 0.000 1.024 105 L CA -1.676 53.120 54.840 -0.074 0.000 0.810 105 L CB 1.463 43.544 42.059 0.035 0.000 1.240 105 L HN -0.064 nan 8.230 nan 0.000 0.427 106 P HA 0.024 nan 4.420 nan 0.000 0.261 106 P C 0.354 177.481 177.300 -0.289 0.000 1.650 106 P CA 0.024 62.911 63.100 -0.356 0.000 0.846 106 P CB -0.123 31.241 31.700 -0.560 0.000 1.758 107 G N -0.206 108.455 108.800 -0.232 0.000 2.539 107 G HA2 0.419 4.378 3.960 -0.001 0.000 0.258 107 G HA3 0.419 4.378 3.960 -0.001 0.000 0.258 107 G C -0.835 173.965 174.900 -0.167 0.000 1.202 107 G CA -0.201 44.827 45.100 -0.120 0.000 0.851 107 G HN 0.109 nan 8.290 nan 0.000 0.556 108 V N 1.345 121.224 119.914 -0.058 0.000 2.569 108 V HA 0.398 4.517 4.120 -0.001 0.000 0.301 108 V C -0.815 175.358 176.094 0.132 0.000 1.044 108 V CA -0.579 61.628 62.300 -0.155 0.000 0.874 108 V CB 1.400 32.800 31.823 -0.705 0.000 1.002 108 V HN 0.664 nan 8.190 nan 0.000 0.424 109 F N 2.962 122.843 119.950 -0.116 0.000 2.436 109 F HA 0.548 5.074 4.527 -0.001 0.000 0.340 109 F C 0.273 175.956 175.800 -0.195 0.000 1.113 109 F CA -0.777 57.154 58.000 -0.114 0.000 1.022 109 F CB 1.600 40.587 39.000 -0.022 0.000 1.128 109 F HN 0.545 nan 8.300 nan 0.000 0.466 110 H N 1.767 121.015 119.070 0.297 0.000 2.504 110 H HA 0.483 5.038 4.556 -0.001 0.000 0.322 110 H C -0.691 174.754 175.328 0.195 0.000 1.055 110 H CA -0.657 55.612 56.048 0.369 0.000 1.231 110 H CB 1.952 32.075 29.762 0.602 0.000 1.417 110 H HN 0.397 nan 8.280 nan 0.000 0.472 111 V N 1.978 121.952 119.914 0.099 0.000 2.735 111 V HA 0.547 4.666 4.120 -0.001 0.000 0.310 111 V C -0.067 175.752 176.094 -0.457 0.000 1.061 111 V CA -0.768 61.474 62.300 -0.097 0.000 0.913 111 V CB 2.092 33.884 31.823 -0.051 0.000 1.005 111 V HN 0.895 nan 8.190 nan 0.000 0.428 112 T N 3.452 117.748 114.554 -0.431 0.000 2.794 112 T HA 0.714 5.064 4.350 -0.001 0.000 0.304 112 T C 0.375 174.941 174.700 -0.224 0.000 0.973 112 T CA 0.236 62.023 62.100 -0.520 0.000 0.972 112 T CB 0.488 69.162 68.868 -0.323 0.000 0.952 112 T HN 1.838 nan 8.240 nan 0.000 0.509 113 A N 4.365 127.107 122.820 -0.131 0.000 2.537 113 A HA 0.409 4.728 4.320 -0.001 0.000 0.260 113 A C 0.673 178.269 177.584 0.020 0.000 1.082 113 A CA -0.299 51.728 52.037 -0.015 0.000 0.765 113 A CB -0.158 18.938 19.000 0.159 0.000 1.019 113 A HN 0.989 nan 8.150 nan 0.000 0.507 114 R N 2.743 123.237 120.500 -0.010 0.000 2.673 114 R HA 0.616 4.956 4.340 -0.001 0.000 0.281 114 R C -0.074 176.235 176.300 0.015 0.000 0.991 114 R CA -0.235 55.876 56.100 0.018 0.000 0.896 114 R CB 1.511 31.805 30.300 -0.010 0.000 1.201 114 R HN 0.953 nan 8.270 nan 0.000 0.457 115 A N 4.429 127.274 122.820 0.041 0.000 2.555 115 A HA 0.165 4.484 4.320 -0.001 0.000 0.233 115 A C 0.152 177.746 177.584 0.016 0.000 1.060 115 A CA 0.092 52.149 52.037 0.033 0.000 0.759 115 A CB 0.065 19.100 19.000 0.059 0.000 0.995 115 A HN 0.538 nan 8.150 nan 0.000 0.506 116 I N 1.013 121.591 120.570 0.013 0.000 2.428 116 I HA 0.385 4.554 4.170 -0.001 0.000 0.296 116 I C 0.974 177.090 176.117 -0.002 0.000 0.985 116 I CA -0.304 60.998 61.300 0.003 0.000 1.260 116 I CB 1.141 39.144 38.000 0.005 0.000 1.389 116 I HN 0.741 nan 8.210 nan 0.000 0.484 117 A N 4.575 127.383 122.820 -0.020 0.000 2.451 117 A HA 0.605 4.924 4.320 -0.001 0.000 0.266 117 A C 0.420 177.984 177.584 -0.034 0.000 1.119 117 A CA 0.480 52.489 52.037 -0.047 0.000 0.786 117 A CB 0.289 19.256 19.000 -0.056 0.000 1.061 117 A HN 0.983 nan 8.150 nan 0.000 0.503 118 A N 1.914 124.709 122.820 -0.041 0.000 2.017 118 A HA 0.380 4.699 4.320 -0.001 0.000 0.194 118 A C 1.585 179.179 177.584 0.015 0.000 1.985 118 A CA 0.524 52.577 52.037 0.026 0.000 1.584 118 A CB -0.535 18.532 19.000 0.112 0.000 1.244 118 A HN 1.062 nan 8.150 nan 0.000 0.587 119 H N 0.472 119.558 119.070 0.027 0.000 2.491 119 H HA 0.430 4.985 4.556 -0.001 0.000 0.290 119 H C 0.417 175.779 175.328 0.057 0.000 1.050 119 H CA 1.504 57.581 56.048 0.049 0.000 1.309 119 H CB -0.304 29.488 29.762 0.050 0.000 1.392 119 H HN 0.771 nan 8.280 nan 0.000 0.554 120 A N 0.522 122.866 122.820 -0.792 0.000 2.586 120 A HA 0.511 4.830 4.320 -0.001 0.000 0.290 120 A C -1.395 175.992 177.584 -0.328 0.000 1.086 120 A CA -0.742 50.982 52.037 -0.522 0.000 0.665 120 A CB 1.043 19.674 19.000 -0.616 0.000 1.279 120 A HN 0.280 nan 8.150 nan 0.000 0.423 121 L N 0.646 121.766 121.223 -0.170 0.000 2.357 121 L HA 0.834 5.174 4.340 -0.001 0.000 0.273 121 L C -0.072 176.767 176.870 -0.052 0.000 1.080 121 L CA -0.115 54.670 54.840 -0.092 0.000 0.803 121 L CB 1.661 43.686 42.059 -0.057 0.000 1.174 121 L HN 0.843 nan 8.230 nan 0.000 0.443 122 S N 3.567 119.262 115.700 -0.009 0.000 2.572 122 S HA 0.366 4.835 4.470 -0.001 0.000 0.274 122 S C 0.280 174.901 174.600 0.035 0.000 1.150 122 S CA -0.823 57.418 58.200 0.068 0.000 0.944 122 S CB 1.292 64.564 63.200 0.121 0.000 1.071 122 S HN 0.691 nan 8.310 nan 0.000 0.479 123 I N 1.142 121.685 120.570 -0.044 0.000 3.793 123 I HA 0.442 4.611 4.170 -0.001 0.000 0.315 123 I C -0.349 175.685 176.117 -0.138 0.000 1.275 123 I CA -0.168 61.041 61.300 -0.151 0.000 1.214 123 I CB -0.213 37.632 38.000 -0.259 0.000 1.018 123 I HN 0.299 nan 8.210 nan 0.000 0.439 124 F N 2.148 122.187 119.950 0.147 0.000 2.362 124 F HA 0.619 5.146 4.527 -0.001 0.000 0.311 124 F C 1.479 177.377 175.800 0.163 0.000 1.161 124 F CA -0.433 57.688 58.000 0.201 0.000 1.085 124 F CB 0.338 39.365 39.000 0.044 0.000 1.311 124 F HN -0.124 nan 8.300 nan 0.000 0.524 125 G N 0.522 109.575 108.800 0.421 0.000 2.370 125 G HA2 0.485 4.445 3.960 -0.001 0.000 0.272 125 G HA3 0.485 4.445 3.960 -0.001 0.000 0.272 125 G C -1.410 173.543 174.900 0.088 0.000 1.208 125 G CA -0.142 45.096 45.100 0.230 0.000 0.856 125 G HN 0.738 nan 8.290 nan 0.000 0.500 126 D N -1.200 119.219 120.400 0.033 0.000 2.769 126 D HA 0.066 4.705 4.640 -0.001 0.000 0.309 126 D C -0.291 176.008 176.300 -0.001 0.000 1.315 126 D CA -0.756 53.174 54.000 -0.117 0.000 0.780 126 D CB 0.146 40.861 40.800 -0.142 0.000 1.312 126 D HN 0.410 nan 8.370 nan 0.000 0.437 127 H N -0.644 118.336 119.070 -0.149 0.000 2.519 127 H HA 0.203 4.758 4.556 -0.001 0.000 0.289 127 H C 0.823 176.042 175.328 -0.182 0.000 1.040 127 H CA -0.106 55.772 56.048 -0.284 0.000 1.165 127 H CB 0.557 29.992 29.762 -0.546 0.000 1.462 127 H HN 0.276 nan 8.280 nan 0.000 0.555 128 Q N 0.927 120.753 119.800 0.045 0.000 2.170 128 Q HA -0.168 4.171 4.340 -0.001 0.000 0.203 128 Q C 1.608 177.617 176.000 0.016 0.000 0.976 128 Q CA 1.692 57.535 55.803 0.066 0.000 0.858 128 Q CB 0.152 28.911 28.738 0.035 0.000 0.907 128 Q HN 0.677 nan 8.270 nan 0.000 0.433 129 D N 0.685 121.057 120.400 -0.046 0.000 2.110 129 D HA -0.166 4.473 4.640 -0.001 0.000 0.202 129 D C 1.881 178.086 176.300 -0.158 0.000 0.975 129 D CA 1.123 55.074 54.000 -0.082 0.000 0.839 129 D CB -0.650 40.100 40.800 -0.083 0.000 0.996 129 D HN 0.403 nan 8.370 nan 0.000 0.464 130 I N -1.768 118.615 120.570 -0.311 0.000 2.286 130 I HA -0.182 3.987 4.170 -0.001 0.000 0.248 130 I C 2.386 178.301 176.117 -0.336 0.000 1.115 130 I CA 1.092 62.100 61.300 -0.485 0.000 1.392 130 I CB -1.237 36.133 38.000 -1.050 0.000 1.065 130 I HN -0.064 nan 8.210 nan 0.000 0.418 131 Y N 1.237 121.385 120.300 -0.252 0.000 2.352 131 Y HA -0.032 4.517 4.550 -0.001 0.000 0.292 131 Y C 2.704 178.549 175.900 -0.092 0.000 1.136 131 Y CA 0.425 58.433 58.100 -0.153 0.000 1.227 131 Y CB -0.199 38.192 38.460 -0.115 0.000 0.991 131 Y HN 0.298 nan 8.280 nan 0.000 0.545 132 A N -0.213 122.641 122.820 0.056 0.000 2.121 132 A HA 0.030 4.349 4.320 -0.001 0.000 0.218 132 A C 1.972 179.540 177.584 -0.026 0.000 1.154 132 A CA 1.414 53.459 52.037 0.014 0.000 0.679 132 A CB -0.564 18.432 19.000 -0.006 0.000 0.795 132 A HN 0.338 nan 8.150 nan 0.000 0.458 133 A N -0.136 122.641 122.820 -0.072 0.000 2.503 133 A HA 0.254 4.573 4.320 -0.001 0.000 0.263 133 A C 1.689 179.201 177.584 -0.120 0.000 1.258 133 A CA 0.350 52.301 52.037 -0.143 0.000 0.936 133 A CB -0.331 18.533 19.000 -0.228 0.000 1.070 133 A HN 0.616 nan 8.150 nan 0.000 0.522 134 R N 0.339 120.834 120.500 -0.008 0.000 2.241 134 R HA -0.143 4.197 4.340 -0.001 0.000 0.224 134 R C 1.228 177.523 176.300 -0.008 0.000 1.101 134 R CA 1.594 57.735 56.100 0.068 0.000 0.995 134 R CB -0.126 30.328 30.300 0.256 0.000 0.870 134 R HN 0.475 nan 8.270 nan 0.000 0.463 135 Q N 1.225 120.987 119.800 -0.064 0.000 2.198 135 Q HA 0.026 4.365 4.340 -0.001 0.000 0.209 135 Q C 0.775 176.627 176.000 -0.247 0.000 0.848 135 Q CA 0.925 56.679 55.803 -0.081 0.000 0.974 135 Q CB 0.495 29.238 28.738 0.008 0.000 1.115 135 Q HN 0.387 nan 8.270 nan 0.000 0.494 136 T N -3.571 110.728 114.554 -0.425 0.000 3.085 136 T HA 0.303 4.652 4.350 -0.001 0.000 0.263 136 T C 1.396 175.919 174.700 -0.295 0.000 1.127 136 T CA 0.810 62.435 62.100 -0.792 0.000 1.103 136 T CB -0.023 68.432 68.868 -0.689 0.000 0.921 136 T HN 0.514 nan 8.240 nan 0.000 0.510 137 G N 0.419 109.162 108.800 -0.095 0.000 2.176 137 G HA2 -0.176 3.783 3.960 -0.001 0.000 0.232 137 G HA3 -0.176 3.783 3.960 -0.001 0.000 0.232 137 G C -0.159 174.831 174.900 0.151 0.000 0.986 137 G CA -0.405 44.719 45.100 0.040 0.000 0.643 137 G HN 0.476 nan 8.290 nan 0.000 0.522 138 F N 1.852 121.704 119.950 -0.164 0.000 2.418 138 F HA 0.660 5.186 4.527 -0.001 0.000 0.341 138 F C 1.063 176.718 175.800 -0.242 0.000 1.120 138 F CA -0.024 57.834 58.000 -0.235 0.000 1.232 138 F CB 1.181 40.006 39.000 -0.292 0.000 1.175 138 F HN 0.336 nan 8.300 nan 0.000 0.569 139 A N 4.703 127.282 122.820 -0.402 0.000 2.371 139 A HA 0.638 4.957 4.320 -0.001 0.000 0.257 139 A C -0.518 176.913 177.584 -0.256 0.000 1.089 139 A CA -0.424 51.261 52.037 -0.586 0.000 0.794 139 A CB 0.201 18.157 19.000 -1.740 0.000 1.029 139 A HN 0.765 nan 8.150 nan 0.000 0.488 140 M N 2.498 122.081 119.600 -0.029 0.000 2.142 140 M HA 0.399 4.878 4.480 -0.001 0.000 0.299 140 M C -1.132 175.376 176.300 0.347 0.000 0.960 140 M CA 0.158 55.613 55.300 0.257 0.000 0.920 140 M CB 1.736 34.539 32.600 0.338 0.000 1.541 140 M HN 0.561 nan 8.290 nan 0.000 0.429 141 L N 2.649 124.110 121.223 0.396 0.000 2.333 141 L HA 0.859 5.199 4.340 -0.001 0.000 0.280 141 L C -0.651 176.194 176.870 -0.042 0.000 1.004 141 L CA -0.506 54.474 54.840 0.235 0.000 0.820 141 L CB 1.752 43.989 42.059 0.296 0.000 1.247 141 L HN 0.858 nan 8.230 nan 0.000 0.416 142 A N 2.944 125.583 122.820 -0.302 0.000 2.312 142 A HA 0.723 5.042 4.320 -0.001 0.000 0.326 142 A C -0.274 177.135 177.584 -0.292 0.000 1.172 142 A CA -0.427 51.138 52.037 -0.787 0.000 0.821 142 A CB 1.209 19.756 19.000 -0.754 0.000 1.166 142 A HN 0.692 nan 8.150 nan 0.000 0.493 143 S N 0.649 116.230 115.700 -0.197 0.000 2.482 143 S HA 0.552 5.021 4.470 -0.001 0.000 0.303 143 S C 0.307 174.919 174.600 0.019 0.000 1.091 143 S CA 0.083 58.283 58.200 -0.000 0.000 1.057 143 S CB 1.567 64.882 63.200 0.192 0.000 1.031 143 S HN 1.300 nan 8.310 nan 0.000 0.485 144 S N 0.404 116.137 115.700 0.056 0.000 2.568 144 S HA 0.474 4.943 4.470 -0.001 0.000 0.232 144 S C 0.317 174.991 174.600 0.124 0.000 0.975 144 S CA 0.066 58.330 58.200 0.108 0.000 0.949 144 S CB -0.796 62.474 63.200 0.117 0.000 0.829 144 S HN 1.433 nan 8.310 nan 0.000 0.479 145 S N -1.096 114.667 115.700 0.104 0.000 2.615 145 S HA 0.464 4.933 4.470 -0.001 0.000 0.268 145 S C 0.518 175.153 174.600 0.059 0.000 1.146 145 S CA -0.337 57.921 58.200 0.096 0.000 0.818 145 S CB 0.622 63.879 63.200 0.095 0.000 1.111 145 S HN -0.011 nan 8.310 nan 0.000 0.465 146 V N 1.313 121.260 119.914 0.056 0.000 2.282 146 V HA -0.202 3.917 4.120 -0.001 0.000 0.249 146 V C 2.916 179.028 176.094 0.030 0.000 1.057 146 V CA 2.726 65.039 62.300 0.022 0.000 1.032 146 V CB -1.124 30.725 31.823 0.044 0.000 0.645 146 V HN 0.981 nan 8.190 nan 0.000 0.447 147 Q N 0.421 120.257 119.800 0.061 0.000 2.084 147 Q HA -0.224 4.115 4.340 -0.001 0.000 0.202 147 Q C 2.126 178.199 176.000 0.123 0.000 0.978 147 Q CA 2.113 57.964 55.803 0.079 0.000 0.844 147 Q CB -0.361 28.435 28.738 0.097 0.000 0.898 147 Q HN 0.693 nan 8.270 nan 0.000 0.426 148 E N -0.708 119.559 120.200 0.111 0.000 2.106 148 E HA -0.156 4.194 4.350 -0.001 0.000 0.192 148 E C 1.831 178.440 176.600 0.015 0.000 0.984 148 E CA 0.733 57.173 56.400 0.067 0.000 0.806 148 E CB -0.186 29.545 29.700 0.051 0.000 0.750 148 E HN 0.507 nan 8.360 nan 0.000 0.458 149 A N 1.411 124.236 122.820 0.008 0.000 1.908 149 A HA -0.256 4.064 4.320 -0.001 0.000 0.218 149 A C 2.065 179.637 177.584 -0.019 0.000 1.181 149 A CA 1.821 53.842 52.037 -0.028 0.000 0.627 149 A CB -0.797 17.971 19.000 -0.387 0.000 0.818 149 A HN 0.394 nan 8.150 nan 0.000 0.445 150 H N 0.124 119.152 119.070 -0.068 0.000 2.326 150 H HA -0.127 4.428 4.556 -0.001 0.000 0.301 150 H C 1.303 176.604 175.328 -0.044 0.000 1.081 150 H CA 1.924 57.954 56.048 -0.031 0.000 1.334 150 H CB -0.245 29.516 29.762 -0.002 0.000 1.385 150 H HN 0.392 nan 8.280 nan 0.000 0.504 151 D N 0.516 121.002 120.400 0.144 0.000 2.097 151 D HA -0.123 4.517 4.640 -0.001 0.000 0.197 151 D C 2.424 178.621 176.300 -0.172 0.000 0.984 151 D CA 0.845 54.882 54.000 0.061 0.000 0.826 151 D CB -0.117 40.786 40.800 0.173 0.000 0.973 151 D HN 0.334 nan 8.370 nan 0.000 0.460 152 M N 0.563 119.997 119.600 -0.277 0.000 2.229 152 M HA 0.021 4.500 4.480 -0.001 0.000 0.264 152 M C 2.229 178.216 176.300 -0.522 0.000 1.063 152 M CA 0.570 55.649 55.300 -0.367 0.000 1.114 152 M CB -1.110 31.326 32.600 -0.273 0.000 1.387 152 M HN -0.042 nan 8.290 nan 0.000 0.420 153 A N 0.210 122.648 122.820 -0.638 0.000 1.933 153 A HA -0.115 4.204 4.320 -0.001 0.000 0.218 153 A C 2.310 179.853 177.584 -0.069 0.000 1.175 153 A CA 1.097 52.937 52.037 -0.329 0.000 0.628 153 A CB -0.789 18.100 19.000 -0.184 0.000 0.814 153 A HN 0.450 nan 8.150 nan 0.000 0.444 154 L N -0.215 120.887 121.223 -0.202 0.000 2.056 154 L HA -0.115 4.224 4.340 -0.001 0.000 0.207 154 L C 2.464 179.225 176.870 -0.181 0.000 1.078 154 L CA 1.449 56.181 54.840 -0.179 0.000 0.749 154 L CB -0.324 41.615 42.059 -0.199 0.000 0.901 154 L HN 0.275 nan 8.230 nan 0.000 0.433 155 V N 0.297 120.098 119.914 -0.188 0.000 2.343 155 V HA -0.288 3.831 4.120 -0.001 0.000 0.247 155 V C 2.834 178.692 176.094 -0.393 0.000 1.051 155 V CA 1.662 63.836 62.300 -0.211 0.000 1.036 155 V CB -0.963 30.786 31.823 -0.123 0.000 0.654 155 V HN 0.561 nan 8.190 nan 0.000 0.451 156 A N -1.065 121.523 122.820 -0.386 0.000 1.883 156 A HA -0.270 4.050 4.320 -0.001 0.000 0.217 156 A C 2.153 179.314 177.584 -0.704 0.000 1.186 156 A CA 1.970 53.613 52.037 -0.656 0.000 0.624 156 A CB -0.843 18.002 19.000 -0.258 0.000 0.822 156 A HN 0.665 nan 8.150 nan 0.000 0.444 157 H N -0.395 118.444 119.070 -0.385 0.000 2.321 157 H HA -0.069 4.486 4.556 -0.001 0.000 0.300 157 H C 2.170 177.237 175.328 -0.435 0.000 1.087 157 H CA 1.856 57.713 56.048 -0.320 0.000 1.319 157 H CB -0.283 29.365 29.762 -0.191 0.000 1.379 157 H HN 0.410 nan 8.280 nan 0.000 0.501 158 L N 0.161 121.133 121.223 -0.419 0.000 2.017 158 L HA -0.163 4.176 4.340 -0.001 0.000 0.208 158 L C 2.971 179.352 176.870 -0.814 0.000 1.073 158 L CA 1.032 55.440 54.840 -0.721 0.000 0.745 158 L CB -0.488 40.894 42.059 -1.129 0.000 0.894 158 L HN 0.211 nan 8.230 nan 0.000 0.432 159 A N -0.102 122.258 122.820 -0.767 0.000 1.930 159 A HA -0.134 4.185 4.320 -0.001 0.000 0.217 159 A C 2.537 179.920 177.584 -0.336 0.000 1.175 159 A CA 1.618 53.379 52.037 -0.460 0.000 0.627 159 A CB -0.681 17.985 19.000 -0.557 0.000 0.815 159 A HN 0.399 nan 8.150 nan 0.000 0.443 160 A N -0.098 122.404 122.820 -0.530 0.000 1.877 160 A HA -0.078 4.241 4.320 -0.001 0.000 0.216 160 A C 1.948 179.413 177.584 -0.197 0.000 1.186 160 A CA 1.775 53.680 52.037 -0.221 0.000 0.620 160 A CB -0.583 18.259 19.000 -0.264 0.000 0.822 160 A HN 0.391 nan 8.150 nan 0.000 0.443 161 I N -0.080 120.346 120.570 -0.239 0.000 2.163 161 I HA -0.229 3.940 4.170 -0.001 0.000 0.243 161 I C 2.401 178.465 176.117 -0.089 0.000 1.085 161 I CA 2.011 63.196 61.300 -0.193 0.000 1.347 161 I CB -0.592 37.317 38.000 -0.151 0.000 1.044 161 I HN 0.560 nan 8.210 nan 0.000 0.408 162 E N -0.097 120.080 120.200 -0.038 0.000 2.158 162 E HA -0.136 4.214 4.350 -0.001 0.000 0.191 162 E C 2.207 178.853 176.600 0.078 0.000 0.982 162 E CA 1.087 57.527 56.400 0.066 0.000 0.823 162 E CB 0.063 29.876 29.700 0.189 0.000 0.766 162 E HN 0.539 nan 8.360 nan 0.000 0.468 163 S N -0.398 115.342 115.700 0.066 0.000 2.478 163 S HA 0.017 4.486 4.470 -0.001 0.000 0.222 163 S C 0.661 175.298 174.600 0.062 0.000 1.008 163 S CA 0.638 58.892 58.200 0.090 0.000 0.928 163 S CB -0.126 63.142 63.200 0.112 0.000 0.781 163 S HN 0.417 nan 8.310 nan 0.000 0.518 164 N N -0.472 118.212 118.700 -0.027 0.000 2.800 164 N HA -0.118 4.621 4.740 -0.001 0.000 0.250 164 N C -1.173 174.202 175.510 -0.225 0.000 1.078 164 N CA 0.836 53.812 53.050 -0.123 0.000 0.804 164 N CB -1.564 36.846 38.487 -0.128 0.000 1.135 164 N HN 0.375 nan 8.380 nan 0.000 0.565 165 V N 1.156 120.944 119.914 -0.209 0.000 2.384 165 V HA 0.442 4.561 4.120 -0.001 0.000 0.287 165 V C -1.813 174.074 176.094 -0.345 0.000 1.020 165 V CA -1.556 60.517 62.300 -0.379 0.000 0.850 165 V CB 1.653 33.166 31.823 -0.517 0.000 0.987 165 V HN -0.050 nan 8.190 nan 0.000 0.436 166 P HA 0.186 nan 4.420 nan 0.000 0.269 166 P C -1.123 175.701 177.300 -0.794 0.000 1.209 166 P CA 0.041 62.652 63.100 -0.814 0.000 0.776 166 P CB 0.676 31.444 31.700 -1.554 0.000 0.876 167 F N 1.123 120.729 119.950 -0.574 0.000 2.522 167 F HA 0.528 5.054 4.527 -0.001 0.000 0.324 167 F C 0.760 176.593 175.800 0.055 0.000 1.077 167 F CA -0.890 56.981 58.000 -0.215 0.000 0.944 167 F CB 2.041 40.938 39.000 -0.172 0.000 1.175 167 F HN 0.157 nan 8.300 nan 0.000 0.468 168 M N 4.151 123.964 119.600 0.355 0.000 2.078 168 M HA 0.322 4.801 4.480 -0.001 0.000 0.320 168 M C -1.720 174.828 176.300 0.415 0.000 0.969 168 M CA -0.626 54.874 55.300 0.334 0.000 0.929 168 M CB 0.596 33.319 32.600 0.205 0.000 1.504 168 M HN 0.738 nan 8.290 nan 0.000 0.419 169 H N 6.283 125.517 119.070 0.274 0.000 2.552 169 H HA 0.565 5.120 4.556 -0.001 0.000 0.311 169 H C -1.929 173.673 175.328 0.456 0.000 1.071 169 H CA -0.356 55.896 56.048 0.341 0.000 1.307 169 H CB 0.473 30.448 29.762 0.355 0.000 1.416 169 H HN 0.577 nan 8.280 nan 0.000 0.464 170 F N 4.363 124.199 119.950 -0.189 0.000 2.588 170 F HA 0.685 5.211 4.527 -0.001 0.000 0.314 170 F C -1.959 173.786 175.800 -0.093 0.000 1.069 170 F CA -1.443 56.396 58.000 -0.268 0.000 0.931 170 F CB 1.305 40.168 39.000 -0.228 0.000 1.260 170 F HN 0.372 nan 8.300 nan 0.000 0.465 171 F N -0.971 118.927 119.950 -0.086 0.000 2.631 171 F HA 0.530 5.056 4.527 -0.001 0.000 0.308 171 F C -1.097 174.790 175.800 0.145 0.000 1.097 171 F CA -1.466 56.514 58.000 -0.033 0.000 0.952 171 F CB 0.860 39.845 39.000 -0.025 0.000 1.307 171 F HN 0.324 nan 8.300 nan 0.000 0.450 172 D N 1.715 122.314 120.400 0.332 0.000 2.487 172 D HA 0.250 4.890 4.640 -0.001 0.000 0.243 172 D C 0.556 176.999 176.300 0.238 0.000 1.154 172 D CA 0.613 54.784 54.000 0.286 0.000 0.876 172 D CB 1.116 42.093 40.800 0.295 0.000 1.161 172 D HN 0.982 nan 8.370 nan 0.000 0.478 173 G N 1.660 110.554 108.800 0.156 0.000 2.305 173 G HA2 0.172 4.131 3.960 -0.001 0.000 0.243 173 G HA3 0.172 4.131 3.960 -0.001 0.000 0.243 173 G C 0.493 175.581 174.900 0.313 0.000 1.288 173 G CA -0.178 44.986 45.100 0.106 0.000 0.901 173 G HN 0.496 nan 8.290 nan 0.000 0.516 174 F N 0.354 120.439 119.950 0.226 0.000 2.560 174 F HA -0.342 4.185 4.527 -0.001 0.000 0.695 174 F C 2.359 178.459 175.800 0.500 0.000 0.486 174 F CA 2.323 60.502 58.000 0.297 0.000 0.722 174 F CB -1.107 38.059 39.000 0.276 0.000 1.608 174 F HN 0.538 nan 8.300 nan 0.000 0.266 175 R N 0.449 121.295 120.500 0.576 0.000 2.170 175 R HA -0.080 4.259 4.340 -0.001 0.000 0.242 175 R C 1.688 178.184 176.300 0.326 0.000 1.145 175 R CA 2.543 58.850 56.100 0.344 0.000 0.984 175 R CB -0.744 29.682 30.300 0.210 0.000 0.869 175 R HN 0.624 nan 8.270 nan 0.000 0.455 176 T N -2.054 112.729 114.554 0.382 0.000 3.028 176 T HA 0.036 4.385 4.350 -0.001 0.000 0.250 176 T C 1.478 176.415 174.700 0.395 0.000 0.979 176 T CA 0.492 62.801 62.100 0.349 0.000 1.004 176 T CB 0.096 69.180 68.868 0.359 0.000 1.120 176 T HN 0.389 nan 8.240 nan 0.000 0.482 177 S N 1.353 117.366 115.700 0.521 0.000 2.402 177 S HA -0.132 4.337 4.470 -0.001 0.000 0.229 177 S C 1.429 176.237 174.600 0.347 0.000 1.021 177 S CA 1.262 59.770 58.200 0.513 0.000 0.974 177 S CB -0.446 63.042 63.200 0.480 0.000 0.800 177 S HN 0.531 nan 8.310 nan 0.000 0.484 178 H N 0.776 120.002 119.070 0.259 0.000 2.594 178 H HA 0.472 5.027 4.556 -0.001 0.000 0.279 178 H C 0.151 175.673 175.328 0.324 0.000 1.042 178 H CA -0.308 55.901 56.048 0.267 0.000 1.177 178 H CB 0.159 30.125 29.762 0.339 0.000 1.524 178 H HN 0.631 nan 8.280 nan 0.000 0.537 179 E N 1.710 122.173 120.200 0.438 0.000 2.283 179 E HA 0.246 4.595 4.350 -0.001 0.000 0.278 179 E C -0.468 176.263 176.600 0.218 0.000 1.027 179 E CA -0.879 55.743 56.400 0.371 0.000 0.843 179 E CB 0.762 30.652 29.700 0.317 0.000 1.062 179 E HN 0.292 nan 8.360 nan 0.000 0.401 180 I N 2.086 122.760 120.570 0.174 0.000 2.412 180 I HA 0.347 4.516 4.170 -0.001 0.000 0.296 180 I C -0.990 175.174 176.117 0.078 0.000 0.987 180 I CA -0.124 61.250 61.300 0.123 0.000 1.180 180 I CB 1.557 39.644 38.000 0.145 0.000 1.340 180 I HN 0.444 nan 8.210 nan 0.000 0.455 181 Q N 4.601 124.443 119.800 0.070 0.000 2.456 181 Q HA 0.343 4.682 4.340 -0.001 0.000 0.284 181 Q C -1.388 174.653 176.000 0.068 0.000 1.061 181 Q CA -1.046 54.797 55.803 0.068 0.000 0.799 181 Q CB 2.632 31.414 28.738 0.073 0.000 1.445 181 Q HN 0.730 nan 8.270 nan 0.000 0.411 182 K N 2.835 123.289 120.400 0.090 0.000 2.285 182 K HA 0.423 4.742 4.320 -0.001 0.000 0.286 182 K C -0.330 176.309 176.600 0.065 0.000 1.072 182 K CA 0.028 56.352 56.287 0.061 0.000 0.913 182 K CB 0.023 32.551 32.500 0.048 0.000 1.067 182 K HN 0.602 nan 8.250 nan 0.000 0.479 183 I N -0.608 119.967 120.570 0.010 0.000 3.457 183 I HA 0.528 4.697 4.170 -0.001 0.000 0.307 183 I C -1.143 174.925 176.117 -0.082 0.000 1.138 183 I CA -1.082 60.211 61.300 -0.011 0.000 0.974 183 I CB 1.966 39.949 38.000 -0.029 0.000 1.324 183 I HN 0.546 nan 8.210 nan 0.000 0.485 184 E N 1.819 121.943 120.200 -0.127 0.000 2.187 184 E HA 0.595 4.944 4.350 -0.001 0.000 0.268 184 E C -1.380 174.991 176.600 -0.380 0.000 0.896 184 E CA -0.842 55.451 56.400 -0.178 0.000 0.766 184 E CB 2.308 31.945 29.700 -0.104 0.000 1.142 184 E HN 0.648 nan 8.360 nan 0.000 0.408 185 V N 1.722 121.418 119.914 -0.363 0.000 3.019 185 V HA 0.617 4.737 4.120 -0.001 0.000 0.317 185 V C -0.438 175.614 176.094 -0.070 0.000 1.094 185 V CA -0.993 61.023 62.300 -0.474 0.000 1.000 185 V CB 1.441 32.995 31.823 -0.448 0.000 1.060 185 V HN 0.658 nan 8.190 nan 0.000 0.443 186 L N 1.282 122.671 121.223 0.278 0.000 2.344 186 L HA 0.550 4.889 4.340 -0.001 0.000 0.272 186 L C -0.014 177.045 176.870 0.315 0.000 1.035 186 L CA -0.670 54.326 54.840 0.261 0.000 0.807 186 L CB 1.495 43.725 42.059 0.285 0.000 1.237 186 L HN 0.709 nan 8.230 nan 0.000 0.442 187 D N -0.077 120.433 120.400 0.184 0.000 2.360 187 D HA -0.004 4.635 4.640 -0.001 0.000 0.242 187 D C 0.652 177.108 176.300 0.260 0.000 1.184 187 D CA -0.040 54.050 54.000 0.151 0.000 0.930 187 D CB 0.722 41.558 40.800 0.060 0.000 1.161 187 D HN 0.290 nan 8.370 nan 0.000 0.447 188 Y N 0.652 120.924 120.300 -0.047 0.000 2.293 188 Y HA -0.082 4.467 4.550 -0.001 0.000 0.291 188 Y C 2.286 178.138 175.900 -0.080 0.000 1.137 188 Y CA 0.658 58.703 58.100 -0.093 0.000 1.202 188 Y CB -1.038 37.350 38.460 -0.119 0.000 0.990 188 Y HN 0.438 nan 8.280 nan 0.000 0.537 189 A N 0.044 122.931 122.820 0.111 0.000 1.933 189 A HA -0.174 4.146 4.320 -0.001 0.000 0.218 189 A C 1.968 179.566 177.584 0.024 0.000 1.175 189 A CA 1.947 54.008 52.037 0.040 0.000 0.628 189 A CB -0.559 18.459 19.000 0.029 0.000 0.814 189 A HN 0.308 nan 8.150 nan 0.000 0.444 190 D N -0.392 120.036 120.400 0.046 0.000 2.117 190 D HA -0.099 4.540 4.640 -0.001 0.000 0.198 190 D C 2.054 178.366 176.300 0.020 0.000 0.982 190 D CA 1.256 55.281 54.000 0.040 0.000 0.828 190 D CB -0.365 40.473 40.800 0.063 0.000 0.967 190 D HN 0.489 nan 8.370 nan 0.000 0.464 191 M N 0.595 120.197 119.600 0.003 0.000 2.117 191 M HA -0.131 4.349 4.480 -0.001 0.000 0.262 191 M C 2.342 178.584 176.300 -0.098 0.000 1.065 191 M CA 1.407 56.668 55.300 -0.064 0.000 1.114 191 M CB -0.242 32.270 32.600 -0.147 0.000 1.361 191 M HN -0.032 nan 8.290 nan 0.000 0.408 192 A N 0.506 123.262 122.820 -0.108 0.000 1.908 192 A HA -0.181 4.138 4.320 -0.001 0.000 0.218 192 A C 2.268 179.813 177.584 -0.063 0.000 1.181 192 A CA 2.200 54.158 52.037 -0.132 0.000 0.627 192 A CB -1.009 17.911 19.000 -0.133 0.000 0.818 192 A HN 0.605 nan 8.150 nan 0.000 0.445 193 S N -0.978 114.708 115.700 -0.024 0.000 2.469 193 S HA -0.039 4.431 4.470 -0.001 0.000 0.238 193 S C 1.353 175.970 174.600 0.027 0.000 0.998 193 S CA 1.308 59.512 58.200 0.006 0.000 0.957 193 S CB -0.270 62.940 63.200 0.016 0.000 0.764 193 S HN 0.207 nan 8.310 nan 0.000 0.514 194 L N 1.491 122.732 121.223 0.029 0.000 2.529 194 L HA 0.407 4.746 4.340 -0.001 0.000 0.223 194 L C 0.533 177.466 176.870 0.106 0.000 1.113 194 L CA -0.059 54.836 54.840 0.093 0.000 0.861 194 L CB -0.729 41.399 42.059 0.116 0.000 1.012 194 L HN 0.185 nan 8.230 nan 0.000 0.461 195 V N 1.709 121.635 119.914 0.019 0.000 2.585 195 V HA -0.024 4.095 4.120 -0.001 0.000 0.296 195 V C 0.921 177.059 176.094 0.072 0.000 1.035 195 V CA -0.284 62.021 62.300 0.009 0.000 1.084 195 V CB 0.477 32.285 31.823 -0.024 0.000 0.953 195 V HN 0.362 nan 8.190 nan 0.000 0.483 196 N N 5.153 123.913 118.700 0.101 0.000 2.421 196 N HA 0.030 4.769 4.740 -0.001 0.000 0.260 196 N C 1.083 176.646 175.510 0.090 0.000 1.173 196 N CA -0.059 53.060 53.050 0.115 0.000 0.960 196 N CB 1.094 39.670 38.487 0.148 0.000 1.273 196 N HN 0.589 nan 8.380 nan 0.000 0.497 197 Q N 3.276 123.126 119.800 0.082 0.000 2.096 197 Q HA -0.169 4.170 4.340 -0.001 0.000 0.204 197 Q C 1.072 177.122 176.000 0.083 0.000 0.982 197 Q CA 1.713 57.568 55.803 0.086 0.000 0.850 197 Q CB -0.011 28.772 28.738 0.074 0.000 0.901 197 Q HN 0.564 nan 8.270 nan 0.000 0.422 198 K N 1.015 121.456 120.400 0.069 0.000 2.002 198 K HA -0.080 4.239 4.320 -0.001 0.000 0.209 198 K C 2.061 178.706 176.600 0.076 0.000 1.048 198 K CA 1.488 57.812 56.287 0.062 0.000 0.930 198 K CB -0.812 31.718 32.500 0.050 0.000 0.714 198 K HN 0.186 nan 8.250 nan 0.000 0.438 199 A N 1.088 123.958 122.820 0.083 0.000 1.933 199 A HA -0.112 4.207 4.320 -0.001 0.000 0.218 199 A C 2.179 179.839 177.584 0.126 0.000 1.175 199 A CA 1.370 53.464 52.037 0.095 0.000 0.628 199 A CB -0.647 18.404 19.000 0.084 0.000 0.814 199 A HN 0.250 nan 8.150 nan 0.000 0.444 200 L N -0.322 120.979 121.223 0.129 0.000 2.083 200 L HA -0.030 4.309 4.340 -0.001 0.000 0.209 200 L C 2.596 179.584 176.870 0.196 0.000 1.083 200 L CA 2.089 57.041 54.840 0.186 0.000 0.752 200 L CB -0.741 41.427 42.059 0.182 0.000 0.899 200 L HN 0.330 nan 8.230 nan 0.000 0.433 201 A N -0.999 121.895 122.820 0.124 0.000 1.930 201 A HA -0.172 4.147 4.320 -0.001 0.000 0.217 201 A C 2.157 179.779 177.584 0.062 0.000 1.175 201 A CA 1.533 53.616 52.037 0.076 0.000 0.627 201 A CB -0.503 18.528 19.000 0.052 0.000 0.815 201 A HN 0.589 nan 8.150 nan 0.000 0.443 202 E N -1.261 118.991 120.200 0.087 0.000 2.106 202 E HA -0.139 4.211 4.350 -0.001 0.000 0.192 202 E C 1.705 178.369 176.600 0.107 0.000 0.984 202 E CA 1.107 57.552 56.400 0.074 0.000 0.806 202 E CB -0.261 29.489 29.700 0.084 0.000 0.750 202 E HN 0.689 nan 8.360 nan 0.000 0.458 203 F N 2.297 122.252 119.950 0.007 0.000 2.069 203 F HA -0.189 4.337 4.527 -0.001 0.000 0.298 203 F C 2.050 177.855 175.800 0.009 0.000 1.113 203 F CA 1.652 59.655 58.000 0.004 0.000 1.214 203 F CB -0.173 38.832 39.000 0.008 0.000 0.978 203 F HN -0.206 nan 8.300 nan 0.000 0.474 204 R N 0.293 120.652 120.500 -0.235 0.000 2.096 204 R HA -0.093 4.246 4.340 -0.001 0.000 0.235 204 R C 2.412 178.611 176.300 -0.168 0.000 1.127 204 R CA 1.291 57.195 56.100 -0.327 0.000 0.968 204 R CB -0.960 29.247 30.300 -0.155 0.000 0.861 204 R HN 0.420 nan 8.270 nan 0.000 0.440 205 A N 2.207 124.968 122.820 -0.098 0.000 2.014 205 A HA -0.166 4.153 4.320 -0.001 0.000 0.218 205 A C 1.935 179.474 177.584 -0.075 0.000 1.163 205 A CA 1.374 53.347 52.037 -0.107 0.000 0.652 205 A CB -0.234 18.697 19.000 -0.116 0.000 0.808 205 A HN 0.396 nan 8.150 nan 0.000 0.449 206 K N -0.486 119.876 120.400 -0.064 0.000 2.426 206 K HA 0.212 4.531 4.320 -0.001 0.000 0.193 206 K C 0.279 176.850 176.600 -0.048 0.000 1.028 206 K CA 0.349 56.595 56.287 -0.068 0.000 1.047 206 K CB 0.050 32.513 32.500 -0.062 0.000 0.821 206 K HN 0.199 nan 8.250 nan 0.000 0.513 207 S N 1.479 117.150 115.700 -0.048 0.000 2.589 207 S HA 0.165 4.634 4.470 -0.001 0.000 0.265 207 S C 0.254 174.934 174.600 0.133 0.000 1.342 207 S CA -0.582 57.599 58.200 -0.032 0.000 1.005 207 S CB 0.442 63.494 63.200 -0.246 0.000 0.909 207 S HN 0.215 nan 8.310 nan 0.000 0.555 208 M N 3.049 122.711 119.600 0.104 0.000 2.252 208 M HA 0.135 4.614 4.480 -0.001 0.000 0.348 208 M C 0.273 176.501 176.300 -0.120 0.000 1.334 208 M CA 0.674 55.978 55.300 0.006 0.000 1.071 208 M CB -0.118 32.430 32.600 -0.087 0.000 1.763 208 M HN 0.527 nan 8.290 nan 0.000 0.452 209 N N 4.292 122.852 118.700 -0.234 0.000 2.827 209 N HA 0.177 4.916 4.740 -0.001 0.000 0.248 209 N C -2.605 172.694 175.510 -0.353 0.000 1.074 209 N CA -0.909 51.931 53.050 -0.349 0.000 1.042 209 N CB 2.108 40.240 38.487 -0.591 0.000 1.684 209 N HN 0.223 nan 8.380 nan 0.000 0.542 210 P HA -0.017 nan 4.420 nan 0.000 0.230 210 P C 0.463 177.683 177.300 -0.135 0.000 1.158 210 P CA 1.043 64.050 63.100 -0.155 0.000 0.769 210 P CB 0.567 32.203 31.700 -0.107 0.000 0.807 211 E N -0.576 119.516 120.200 -0.180 0.000 2.435 211 E HA -0.057 4.292 4.350 -0.001 0.000 0.195 211 E C 0.572 177.191 176.600 0.032 0.000 1.029 211 E CA 0.310 56.674 56.400 -0.059 0.000 0.865 211 E CB -0.020 29.683 29.700 0.005 0.000 0.833 211 E HN 0.588 nan 8.360 nan 0.000 0.510 212 H N -1.866 117.208 119.070 0.007 0.000 2.927 212 H HA 0.232 4.787 4.556 -0.001 0.000 0.213 212 H C -2.981 172.385 175.328 0.064 0.000 1.363 212 H CA -1.683 54.380 56.048 0.025 0.000 1.369 212 H CB -0.320 29.452 29.762 0.016 0.000 2.040 212 H HN -0.052 nan 8.280 nan 0.000 0.544 213 P HA 0.179 nan 4.420 nan 0.000 0.274 213 P C -0.151 177.225 177.300 0.126 0.000 1.246 213 P CA 0.352 63.457 63.100 0.008 0.000 0.795 213 P CB 1.803 33.459 31.700 -0.074 0.000 1.006 214 H N -1.422 117.645 119.070 -0.005 0.000 2.942 214 H HA 0.575 5.130 4.556 -0.001 0.000 0.316 214 H C -1.529 173.799 175.328 0.001 0.000 1.323 214 H CA -1.058 54.995 56.048 0.009 0.000 1.144 214 H CB 1.212 30.989 29.762 0.023 0.000 1.866 214 H HN 0.330 nan 8.280 nan 0.000 0.545 215 V N 1.453 121.378 119.914 0.019 0.000 2.487 215 V HA 0.610 4.729 4.120 -0.001 0.000 0.298 215 V C -0.410 175.722 176.094 0.063 0.000 1.028 215 V CA -0.704 61.565 62.300 -0.052 0.000 0.860 215 V CB 1.492 33.308 31.823 -0.012 0.000 0.991 215 V HN 1.047 nan 8.190 nan 0.000 0.427 216 R N 4.399 124.911 120.500 0.021 0.000 2.832 216 R HA 0.820 5.159 4.340 -0.001 0.000 0.271 216 R C 0.413 176.756 176.300 0.071 0.000 0.996 216 R CA -0.285 55.878 56.100 0.105 0.000 0.977 216 R CB 1.710 32.100 30.300 0.150 0.000 1.168 216 R HN 1.991 nan 8.270 nan 0.000 0.482 217 G N 1.388 110.246 108.800 0.096 0.000 2.326 217 G HA2 -0.284 3.675 3.960 -0.001 0.000 0.286 217 G HA3 -0.284 3.675 3.960 -0.001 0.000 0.286 217 G C 0.058 174.998 174.900 0.066 0.000 1.096 217 G CA 0.365 45.519 45.100 0.089 0.000 1.003 217 G HN 1.063 nan 8.290 nan 0.000 0.503 218 T N -2.160 112.436 114.554 0.071 0.000 2.788 218 T HA 0.793 5.143 4.350 -0.001 0.000 0.280 218 T C 0.540 175.281 174.700 0.068 0.000 0.984 218 T CA 0.341 62.477 62.100 0.061 0.000 0.972 218 T CB 2.127 71.033 68.868 0.064 0.000 1.039 218 T HN 1.855 nan 8.240 nan 0.000 0.530 219 A N 1.237 124.090 122.820 0.055 0.000 2.303 219 A HA 0.606 4.925 4.320 -0.001 0.000 0.320 219 A C -0.190 177.433 177.584 0.065 0.000 1.192 219 A CA -0.868 51.200 52.037 0.051 0.000 0.821 219 A CB 0.721 19.735 19.000 0.024 0.000 1.188 219 A HN 0.841 nan 8.150 nan 0.000 0.492 220 Q N 1.504 121.360 119.800 0.093 0.000 2.345 220 Q HA 0.347 4.687 4.340 -0.001 0.000 0.268 220 Q C -0.658 175.389 176.000 0.078 0.000 1.054 220 Q CA -0.649 55.225 55.803 0.117 0.000 0.835 220 Q CB 2.143 31.010 28.738 0.214 0.000 1.339 220 Q HN 0.896 nan 8.270 nan 0.000 0.447 221 N N 0.866 119.611 118.700 0.074 0.000 2.448 221 N HA 0.189 4.928 4.740 -0.001 0.000 0.274 221 N C -1.908 173.650 175.510 0.080 0.000 1.239 221 N CA -1.586 51.492 53.050 0.047 0.000 0.982 221 N CB 0.646 39.156 38.487 0.037 0.000 1.199 221 N HN 0.291 nan 8.380 nan 0.000 0.576 222 P HA -0.153 nan 4.420 nan 0.000 0.221 222 P C 0.281 177.652 177.300 0.118 0.000 1.145 222 P CA 1.069 64.222 63.100 0.088 0.000 0.795 222 P CB 0.014 31.744 31.700 0.051 0.000 0.775 223 D N 0.082 120.535 120.400 0.089 0.000 2.178 223 D HA -0.174 4.465 4.640 -0.001 0.000 0.201 223 D C 1.647 178.002 176.300 0.092 0.000 0.980 223 D CA 1.400 55.447 54.000 0.079 0.000 0.842 223 D CB -1.017 39.816 40.800 0.055 0.000 0.948 223 D HN 0.361 nan 8.370 nan 0.000 0.472 224 I N -5.076 115.566 120.570 0.120 0.000 4.655 224 I HA 0.280 4.449 4.170 -0.001 0.000 0.333 224 I C 1.852 178.062 176.117 0.155 0.000 1.312 224 I CA -0.690 60.677 61.300 0.113 0.000 1.270 224 I CB -0.132 37.915 38.000 0.079 0.000 1.318 224 I HN -0.171 nan 8.210 nan 0.000 0.456 225 Y N 2.212 122.565 120.300 0.089 0.000 2.081 225 Y HA -0.299 4.251 4.550 -0.001 0.000 0.280 225 Y C 2.302 178.304 175.900 0.170 0.000 1.163 225 Y CA 2.648 60.806 58.100 0.096 0.000 1.135 225 Y CB -0.471 38.024 38.460 0.059 0.000 0.970 225 Y HN 0.280 nan 8.280 nan 0.000 0.498 226 F N 0.531 120.515 119.950 0.056 0.000 2.095 226 F HA -0.374 4.152 4.527 -0.001 0.000 0.298 226 F C 2.182 177.925 175.800 -0.097 0.000 1.104 226 F CA 1.562 59.545 58.000 -0.027 0.000 1.232 226 F CB -0.086 38.953 39.000 0.064 0.000 0.987 226 F HN 0.199 nan 8.300 nan 0.000 0.475 227 Q N 0.232 120.085 119.800 0.089 0.000 2.124 227 Q HA -0.110 4.230 4.340 -0.001 0.000 0.202 227 Q C 2.346 178.335 176.000 -0.019 0.000 0.977 227 Q CA 1.554 57.334 55.803 -0.038 0.000 0.850 227 Q CB -0.894 27.818 28.738 -0.044 0.000 0.901 227 Q HN 0.534 nan 8.270 nan 0.000 0.429 228 G N 0.299 109.075 108.800 -0.040 0.000 2.408 228 G HA2 -0.298 3.661 3.960 -0.001 0.000 0.217 228 G HA3 -0.298 3.661 3.960 -0.001 0.000 0.217 228 G C 1.537 176.373 174.900 -0.108 0.000 1.150 228 G CA 0.677 45.735 45.100 -0.071 0.000 0.776 228 G HN 0.155 nan 8.290 nan 0.000 0.542 229 R N 0.487 120.871 120.500 -0.194 0.000 2.115 229 R HA 0.026 4.365 4.340 -0.001 0.000 0.230 229 R C 2.206 178.497 176.300 -0.015 0.000 1.111 229 R CA 1.089 57.090 56.100 -0.165 0.000 0.976 229 R CB -0.092 30.052 30.300 -0.259 0.000 0.870 229 R HN 0.236 nan 8.270 nan 0.000 0.445 230 E N -0.495 119.731 120.200 0.043 0.000 2.385 230 E HA 0.048 4.398 4.350 -0.001 0.000 0.194 230 E C 1.543 178.174 176.600 0.052 0.000 1.013 230 E CA 0.753 57.187 56.400 0.057 0.000 0.866 230 E CB 0.215 29.943 29.700 0.047 0.000 0.832 230 E HN 0.390 nan 8.360 nan 0.000 0.500 231 A N 1.213 124.060 122.820 0.046 0.000 2.125 231 A HA -0.019 4.300 4.320 -0.001 0.000 0.219 231 A C 2.205 179.880 177.584 0.152 0.000 1.156 231 A CA 1.421 53.502 52.037 0.074 0.000 0.671 231 A CB -0.205 18.827 19.000 0.053 0.000 0.794 231 A HN 0.201 nan 8.150 nan 0.000 0.459 232 A N -0.206 122.719 122.820 0.175 0.000 2.218 232 A HA 0.014 4.333 4.320 -0.001 0.000 0.209 232 A C 1.549 179.379 177.584 0.410 0.000 1.168 232 A CA 0.708 52.936 52.037 0.318 0.000 0.804 232 A CB -0.688 18.470 19.000 0.262 0.000 0.834 232 A HN 0.696 nan 8.150 nan 0.000 0.482 233 N N 0.755 119.601 118.700 0.243 0.000 2.069 233 N HA -0.206 4.533 4.740 -0.001 0.000 0.196 233 N C -1.068 174.553 175.510 0.186 0.000 1.024 233 N CA 1.862 55.029 53.050 0.196 0.000 0.869 233 N CB -0.896 37.649 38.487 0.096 0.000 1.035 233 N HN 0.348 nan 8.380 nan 0.000 0.434 234 P HA -0.156 nan 4.420 nan 0.000 0.216 234 P C 0.619 177.857 177.300 -0.105 0.000 1.150 234 P CA 1.211 64.279 63.100 -0.053 0.000 0.837 234 P CB -0.069 31.523 31.700 -0.180 0.000 0.786 235 Y N -2.699 117.627 120.300 0.043 0.000 2.200 235 Y HA -0.178 4.371 4.550 -0.001 0.000 0.290 235 Y C 2.246 178.081 175.900 -0.108 0.000 1.137 235 Y CA 1.312 59.381 58.100 -0.051 0.000 1.163 235 Y CB -1.262 37.126 38.460 -0.121 0.000 0.988 235 Y HN -0.004 nan 8.280 nan 0.000 0.518 236 Y N -0.784 119.594 120.300 0.130 0.000 2.373 236 Y HA -0.117 4.432 4.550 -0.001 0.000 0.293 236 Y C 2.082 178.004 175.900 0.036 0.000 1.129 236 Y CA 0.806 58.939 58.100 0.056 0.000 1.226 236 Y CB -0.371 38.109 38.460 0.033 0.000 1.000 236 Y HN 0.084 nan 8.280 nan 0.000 0.549 237 L N -0.387 120.931 121.223 0.158 0.000 2.217 237 L HA -0.177 4.162 4.340 -0.001 0.000 0.211 237 L C 1.850 178.753 176.870 0.055 0.000 1.107 237 L CA 1.420 56.314 54.840 0.091 0.000 0.783 237 L CB -0.294 41.798 42.059 0.055 0.000 0.919 237 L HN 0.166 nan 8.230 nan 0.000 0.442 238 K N -0.523 119.894 120.400 0.028 0.000 2.323 238 K HA -0.035 4.284 4.320 -0.001 0.000 0.197 238 K C 2.012 178.638 176.600 0.043 0.000 1.043 238 K CA 0.700 56.996 56.287 0.016 0.000 0.997 238 K CB 0.139 32.623 32.500 -0.026 0.000 0.807 238 K HN 0.180 nan 8.250 nan 0.000 0.497 239 V N 1.126 121.067 119.914 0.045 0.000 2.392 239 V HA -0.149 3.970 4.120 -0.001 0.000 0.249 239 V C -1.147 175.020 176.094 0.122 0.000 1.059 239 V CA 1.464 63.814 62.300 0.084 0.000 1.051 239 V CB -1.116 30.716 31.823 0.015 0.000 0.658 239 V HN 0.097 nan 8.190 nan 0.000 0.455 240 P HA -0.024 nan 4.420 nan 0.000 0.215 240 P C 1.849 179.203 177.300 0.091 0.000 1.153 240 P CA 2.127 65.286 63.100 0.097 0.000 0.853 240 P CB -0.630 31.121 31.700 0.085 0.000 0.788 241 G N -0.872 107.970 108.800 0.070 0.000 2.448 241 G HA2 -0.189 3.770 3.960 -0.001 0.000 0.218 241 G HA3 -0.189 3.770 3.960 -0.001 0.000 0.218 241 G C 1.328 176.252 174.900 0.040 0.000 1.135 241 G CA 0.366 45.495 45.100 0.047 0.000 0.784 241 G HN 0.148 nan 8.290 nan 0.000 0.543 242 I N 0.668 121.282 120.570 0.073 0.000 2.286 242 I HA -0.054 4.115 4.170 -0.001 0.000 0.245 242 I C 2.826 179.043 176.117 0.168 0.000 1.104 242 I CA 0.398 61.757 61.300 0.099 0.000 1.397 242 I CB -0.482 37.618 38.000 0.168 0.000 1.072 242 I HN 0.014 nan 8.210 nan 0.000 0.417 243 V N 0.687 120.711 119.914 0.182 0.000 2.307 243 V HA -0.268 3.851 4.120 -0.001 0.000 0.245 243 V C 2.687 178.862 176.094 0.134 0.000 1.045 243 V CA 1.819 64.229 62.300 0.183 0.000 1.024 243 V CB -1.296 30.650 31.823 0.204 0.000 0.651 243 V HN 0.470 nan 8.190 nan 0.000 0.449 244 A N -0.184 122.694 122.820 0.096 0.000 1.902 244 A HA -0.285 4.034 4.320 -0.001 0.000 0.217 244 A C 2.321 179.930 177.584 0.042 0.000 1.181 244 A CA 2.015 54.098 52.037 0.076 0.000 0.623 244 A CB -0.563 18.476 19.000 0.065 0.000 0.818 244 A HN 0.657 nan 8.150 nan 0.000 0.443 245 E N -1.249 118.941 120.200 -0.017 0.000 2.085 245 E HA -0.245 4.105 4.350 -0.001 0.000 0.194 245 E C 1.741 178.235 176.600 -0.177 0.000 0.994 245 E CA 1.549 57.872 56.400 -0.129 0.000 0.801 245 E CB -0.323 29.235 29.700 -0.237 0.000 0.743 245 E HN 0.768 nan 8.360 nan 0.000 0.453 246 Y N 0.023 120.329 120.300 0.010 0.000 2.439 246 Y HA -0.036 4.513 4.550 -0.001 0.000 0.292 246 Y C 2.450 178.365 175.900 0.025 0.000 1.130 246 Y CA 0.861 58.960 58.100 -0.002 0.000 1.254 246 Y CB 0.071 38.504 38.460 -0.045 0.000 1.000 246 Y HN 0.069 nan 8.280 nan 0.000 0.554 247 M N -0.603 119.100 119.600 0.172 0.000 2.175 247 M HA -0.245 4.234 4.480 -0.001 0.000 0.264 247 M C 1.905 178.302 176.300 0.161 0.000 1.063 247 M CA 1.705 57.119 55.300 0.191 0.000 1.119 247 M CB -0.257 32.467 32.600 0.205 0.000 1.377 247 M HN 0.283 nan 8.290 nan 0.000 0.415 248 Q N 0.257 120.113 119.800 0.094 0.000 2.083 248 Q HA -0.111 4.228 4.340 -0.001 0.000 0.198 248 Q C 1.963 177.993 176.000 0.049 0.000 0.969 248 Q CA 1.125 56.961 55.803 0.056 0.000 0.838 248 Q CB -0.090 28.660 28.738 0.020 0.000 0.900 248 Q HN 0.474 nan 8.270 nan 0.000 0.436 249 K N 0.201 120.626 120.400 0.041 0.000 2.057 249 K HA -0.108 4.211 4.320 -0.001 0.000 0.207 249 K C 2.092 178.748 176.600 0.093 0.000 1.049 249 K CA 1.242 57.560 56.287 0.051 0.000 0.931 249 K CB -0.080 32.448 32.500 0.047 0.000 0.714 249 K HN 0.007 nan 8.250 nan 0.000 0.440 250 V N 1.326 121.319 119.914 0.132 0.000 2.427 250 V HA -0.231 3.888 4.120 -0.001 0.000 0.248 250 V C 2.296 178.462 176.094 0.120 0.000 1.051 250 V CA 1.962 64.343 62.300 0.135 0.000 1.048 250 V CB -0.560 31.358 31.823 0.159 0.000 0.666 250 V HN 0.355 nan 8.190 nan 0.000 0.456 251 A N 0.684 123.571 122.820 0.111 0.000 1.972 251 A HA -0.201 4.118 4.320 -0.001 0.000 0.219 251 A C 2.498 180.108 177.584 0.044 0.000 1.169 251 A CA 2.058 54.135 52.037 0.066 0.000 0.635 251 A CB -0.696 18.327 19.000 0.038 0.000 0.810 251 A HN 0.699 nan 8.150 nan 0.000 0.446 252 S N -0.564 115.163 115.700 0.045 0.000 2.474 252 S HA 0.010 4.479 4.470 -0.001 0.000 0.235 252 S C 1.597 176.219 174.600 0.036 0.000 0.997 252 S CA 1.343 59.562 58.200 0.032 0.000 0.949 252 S CB -0.419 62.798 63.200 0.028 0.000 0.766 252 S HN 0.475 nan 8.310 nan 0.000 0.517 253 L N 0.986 122.240 121.223 0.051 0.000 2.425 253 L HA 0.139 4.478 4.340 -0.001 0.000 0.215 253 L C 2.771 179.672 176.870 0.051 0.000 1.065 253 L CA 1.161 56.032 54.840 0.052 0.000 0.842 253 L CB -0.336 41.764 42.059 0.067 0.000 1.033 253 L HN 0.557 nan 8.230 nan 0.000 0.474 254 T N -4.861 109.729 114.554 0.059 0.000 3.000 254 T HA 0.237 4.586 4.350 -0.001 0.000 0.248 254 T C 1.512 176.228 174.700 0.027 0.000 1.034 254 T CA 0.655 62.787 62.100 0.052 0.000 1.060 254 T CB 0.844 69.764 68.868 0.087 0.000 0.983 254 T HN 0.327 nan 8.240 nan 0.000 0.482 255 G N 1.889 110.698 108.800 0.015 0.000 2.176 255 G HA2 -0.233 3.726 3.960 -0.001 0.000 0.253 255 G HA3 -0.233 3.726 3.960 -0.001 0.000 0.253 255 G C 0.117 174.991 174.900 -0.043 0.000 0.979 255 G CA -0.118 44.978 45.100 -0.007 0.000 0.641 255 G HN 0.667 nan 8.290 nan 0.000 0.530 256 R N 1.021 121.483 120.500 -0.063 0.000 2.239 256 R HA 0.536 4.876 4.340 -0.001 0.000 0.332 256 R C -0.335 175.744 176.300 -0.368 0.000 0.988 256 R CA -0.227 55.752 56.100 -0.202 0.000 0.859 256 R CB 1.313 31.532 30.300 -0.135 0.000 1.148 256 R HN 0.181 nan 8.270 nan 0.000 0.482 257 S N 2.313 117.781 115.700 -0.388 0.000 2.585 257 S HA 0.508 4.978 4.470 -0.001 0.000 0.277 257 S C -0.861 173.430 174.600 -0.515 0.000 1.241 257 S CA -0.316 57.700 58.200 -0.306 0.000 1.041 257 S CB 0.660 63.788 63.200 -0.120 0.000 0.987 257 S HN 0.352 nan 8.310 nan 0.000 0.512 258 Y N 0.239 120.570 120.300 0.052 0.000 2.615 258 Y HA 0.562 5.111 4.550 -0.001 0.000 0.341 258 Y C 0.114 176.047 175.900 0.056 0.000 1.089 258 Y CA -1.085 57.047 58.100 0.054 0.000 1.049 258 Y CB 1.722 40.212 38.460 0.049 0.000 1.296 258 Y HN 0.415 nan 8.280 nan 0.000 0.470 259 K N 0.404 120.950 120.400 0.242 0.000 2.433 259 K HA 0.367 4.686 4.320 -0.001 0.000 0.252 259 K C -0.184 176.486 176.600 0.117 0.000 1.015 259 K CA -0.854 55.533 56.287 0.165 0.000 0.860 259 K CB 2.046 34.642 32.500 0.161 0.000 1.359 259 K HN 0.357 nan 8.250 nan 0.000 0.452 260 L N 0.705 121.977 121.223 0.083 0.000 2.043 260 L HA -0.047 4.292 4.340 -0.001 0.000 0.212 260 L C 0.187 176.870 176.870 -0.312 0.000 1.075 260 L CA 1.821 56.616 54.840 -0.076 0.000 0.752 260 L CB -0.325 41.749 42.059 0.026 0.000 0.891 260 L HN 0.406 nan 8.230 nan 0.000 0.432 261 F N -1.242 118.756 119.950 0.080 0.000 2.557 261 F HA 0.359 4.886 4.527 -0.001 0.000 0.316 261 F C -0.087 175.785 175.800 0.121 0.000 1.141 261 F CA -1.217 56.847 58.000 0.106 0.000 0.922 261 F CB 1.497 40.552 39.000 0.091 0.000 1.194 261 F HN -0.231 nan 8.300 nan 0.000 0.443 262 D N 1.869 122.448 120.400 0.298 0.000 2.248 262 D HA 0.198 4.837 4.640 -0.001 0.000 0.246 262 D C -1.459 174.997 176.300 0.260 0.000 1.027 262 D CA -0.325 53.821 54.000 0.243 0.000 0.853 262 D CB 2.719 43.635 40.800 0.193 0.000 1.243 262 D HN 0.514 nan 8.370 nan 0.000 0.462 263 Y N 1.300 121.668 120.300 0.114 0.000 2.377 263 Y HA 0.502 5.051 4.550 -0.001 0.000 0.339 263 Y C -1.104 174.849 175.900 0.088 0.000 1.011 263 Y CA -0.523 57.635 58.100 0.096 0.000 1.093 263 Y CB 1.415 39.910 38.460 0.060 0.000 1.201 263 Y HN 0.122 nan 8.280 nan 0.000 0.455 264 V N 5.814 125.179 119.914 -0.915 0.000 2.841 264 V HA 0.906 5.026 4.120 -0.001 0.000 0.310 264 V C -0.210 175.401 176.094 -0.805 0.000 1.090 264 V CA 0.418 62.365 62.300 -0.589 0.000 0.930 264 V CB 1.363 33.051 31.823 -0.225 0.000 1.014 264 V HN 1.260 nan 8.190 nan 0.000 0.425 265 G N 3.987 112.576 108.800 -0.352 0.000 2.318 265 G HA2 0.445 4.404 3.960 -0.001 0.000 0.367 265 G HA3 0.445 4.404 3.960 -0.001 0.000 0.367 265 G C -0.138 174.821 174.900 0.098 0.000 1.260 265 G CA -0.086 44.934 45.100 -0.133 0.000 1.055 265 G HN 1.896 nan 8.290 nan 0.000 0.484 266 A N 0.555 123.464 122.820 0.147 0.000 2.492 266 A HA 0.642 4.961 4.320 -0.001 0.000 0.254 266 A C -0.623 177.108 177.584 0.245 0.000 1.091 266 A CA 0.122 52.255 52.037 0.160 0.000 0.768 266 A CB 0.283 19.341 19.000 0.095 0.000 1.028 266 A HN 0.430 nan 8.150 nan 0.000 0.498 267 P HA -0.104 nan 4.420 nan 0.000 0.220 267 P C 0.265 177.586 177.300 0.035 0.000 1.148 267 P CA 1.480 64.641 63.100 0.102 0.000 0.803 267 P CB 0.166 31.909 31.700 0.071 0.000 0.782 268 D N -1.697 118.736 120.400 0.055 0.000 2.559 268 D HA 0.213 4.852 4.640 -0.001 0.000 0.234 268 D C 0.164 176.497 176.300 0.055 0.000 1.226 268 D CA -0.675 53.346 54.000 0.036 0.000 0.830 268 D CB -0.654 40.164 40.800 0.030 0.000 1.028 268 D HN -0.053 nan 8.370 nan 0.000 0.492 269 A N 0.603 123.477 122.820 0.090 0.000 2.540 269 A HA 0.092 4.411 4.320 -0.001 0.000 0.239 269 A C 0.948 178.590 177.584 0.097 0.000 1.061 269 A CA 0.033 52.140 52.037 0.117 0.000 0.758 269 A CB 0.379 19.509 19.000 0.217 0.000 0.991 269 A HN 0.231 nan 8.150 nan 0.000 0.502 270 E N 0.864 121.121 120.200 0.095 0.000 2.307 270 E HA 0.033 4.382 4.350 -0.001 0.000 0.195 270 E C 0.054 176.725 176.600 0.119 0.000 0.975 270 E CA 0.426 56.879 56.400 0.089 0.000 0.878 270 E CB 0.304 30.044 29.700 0.068 0.000 0.845 270 E HN 0.666 nan 8.360 nan 0.000 0.488 271 R N 1.103 121.697 120.500 0.158 0.000 2.409 271 R HA 0.435 4.774 4.340 -0.001 0.000 0.313 271 R C -1.269 175.222 176.300 0.318 0.000 0.953 271 R CA -0.380 55.851 56.100 0.218 0.000 0.849 271 R CB 2.245 32.694 30.300 0.248 0.000 1.171 271 R HN -0.136 nan 8.270 nan 0.000 0.458 272 V N 4.592 124.678 119.914 0.287 0.000 2.769 272 V HA 0.492 4.611 4.120 -0.001 0.000 0.312 272 V C -0.083 176.169 176.094 0.263 0.000 1.061 272 V CA -0.918 61.582 62.300 0.333 0.000 0.931 272 V CB 2.302 34.314 31.823 0.316 0.000 1.010 272 V HN 0.581 nan 8.190 nan 0.000 0.433 273 I N 3.401 124.124 120.570 0.254 0.000 2.460 273 I HA 0.515 4.684 4.170 -0.001 0.000 0.298 273 I C -0.358 175.899 176.117 0.234 0.000 0.989 273 I CA -0.589 60.800 61.300 0.149 0.000 1.173 273 I CB 1.984 40.005 38.000 0.034 0.000 1.338 273 I HN 0.256 nan 8.210 nan 0.000 0.456 274 V N 4.636 124.694 119.914 0.239 0.000 2.407 274 V HA 0.555 4.674 4.120 -0.001 0.000 0.291 274 V C -0.013 176.233 176.094 0.253 0.000 1.018 274 V CA -0.233 62.259 62.300 0.321 0.000 0.842 274 V CB 1.638 33.706 31.823 0.408 0.000 0.996 274 V HN 0.889 nan 8.190 nan 0.000 0.426 275 S N 4.513 120.363 115.700 0.252 0.000 2.720 275 S HA 0.898 5.367 4.470 -0.001 0.000 0.287 275 S C -1.190 173.565 174.600 0.258 0.000 1.168 275 S CA -0.650 57.673 58.200 0.206 0.000 0.832 275 S CB 1.994 65.237 63.200 0.072 0.000 1.166 275 S HN 0.730 nan 8.310 nan 0.000 0.493 276 M N 1.532 121.302 119.600 0.284 0.000 2.365 276 M HA 0.592 5.072 4.480 -0.001 0.000 0.287 276 M C -0.415 176.102 176.300 0.361 0.000 1.154 276 M CA 0.679 56.153 55.300 0.289 0.000 0.941 276 M CB 1.452 34.232 32.600 0.300 0.000 1.704 276 M HN 1.206 nan 8.290 nan 0.000 0.479 277 G N 1.666 110.607 108.800 0.236 0.000 2.610 277 G HA2 -0.213 3.747 3.960 -0.001 0.000 0.304 277 G HA3 -0.213 3.747 3.960 -0.001 0.000 0.304 277 G C 0.261 175.298 174.900 0.228 0.000 1.309 277 G CA 0.115 45.374 45.100 0.264 0.000 0.906 277 G HN 1.401 nan 8.290 nan 0.000 0.521 278 S N -0.564 115.279 115.700 0.238 0.000 2.420 278 S HA -0.175 4.294 4.470 -0.001 0.000 0.237 278 S C 2.647 177.384 174.600 0.228 0.000 1.023 278 S CA 2.693 61.021 58.200 0.213 0.000 0.991 278 S CB -0.764 62.564 63.200 0.212 0.000 0.792 278 S HN 2.330 nan 8.310 nan 0.000 0.488 279 S N 1.015 116.866 115.700 0.252 0.000 2.400 279 S HA -0.154 4.316 4.470 -0.001 0.000 0.232 279 S C 1.953 176.696 174.600 0.238 0.000 1.025 279 S CA 1.048 59.408 58.200 0.267 0.000 0.993 279 S CB -1.546 61.630 63.200 -0.040 0.000 0.808 279 S HN 0.698 nan 8.310 nan 0.000 0.478 280 C N 1.893 121.305 119.300 0.186 0.000 2.422 280 C HA 0.015 4.474 4.460 -0.001 0.000 0.279 280 C C 2.970 178.055 174.990 0.157 0.000 1.305 280 C CA 0.601 59.719 59.018 0.165 0.000 1.757 280 C CB -1.188 26.644 27.740 0.154 0.000 1.962 280 C HN 0.585 nan 8.230 nan 0.000 0.499 281 E N 0.634 120.929 120.200 0.158 0.000 2.031 281 E HA -0.152 4.197 4.350 -0.001 0.000 0.193 281 E C 2.247 178.937 176.600 0.150 0.000 0.994 281 E CA 1.715 58.196 56.400 0.135 0.000 0.800 281 E CB -0.793 28.981 29.700 0.123 0.000 0.752 281 E HN 0.576 nan 8.360 nan 0.000 0.447 282 T N 2.149 116.821 114.554 0.198 0.000 2.821 282 T HA -0.082 4.267 4.350 -0.001 0.000 0.267 282 T C 1.961 176.739 174.700 0.129 0.000 1.046 282 T CA 0.622 62.843 62.100 0.201 0.000 1.139 282 T CB -0.056 68.943 68.868 0.218 0.000 0.871 282 T HN 0.051 nan 8.240 nan 0.000 0.454 283 I N 1.400 122.071 120.570 0.169 0.000 2.163 283 I HA -0.144 4.025 4.170 -0.001 0.000 0.243 283 I C 2.564 178.774 176.117 0.155 0.000 1.085 283 I CA 1.516 62.921 61.300 0.176 0.000 1.347 283 I CB -1.078 37.047 38.000 0.208 0.000 1.044 283 I HN 0.409 nan 8.210 nan 0.000 0.408 284 E N 0.956 121.229 120.200 0.123 0.000 2.110 284 E HA -0.267 4.082 4.350 -0.001 0.000 0.193 284 E C 2.157 178.803 176.600 0.077 0.000 0.988 284 E CA 1.247 57.696 56.400 0.081 0.000 0.804 284 E CB -0.008 29.726 29.700 0.058 0.000 0.745 284 E HN 0.462 nan 8.360 nan 0.000 0.458 285 E N -0.088 120.168 120.200 0.094 0.000 2.085 285 E HA -0.195 4.154 4.350 -0.001 0.000 0.194 285 E C 2.056 178.721 176.600 0.108 0.000 0.994 285 E CA 1.537 57.994 56.400 0.096 0.000 0.801 285 E CB 0.120 29.898 29.700 0.130 0.000 0.743 285 E HN 0.180 nan 8.360 nan 0.000 0.453 286 V N 1.565 121.545 119.914 0.110 0.000 2.358 286 V HA -0.254 3.865 4.120 -0.001 0.000 0.246 286 V C 2.414 178.583 176.094 0.126 0.000 1.047 286 V CA 1.128 63.508 62.300 0.133 0.000 1.035 286 V CB -0.409 31.488 31.823 0.123 0.000 0.658 286 V HN 0.359 nan 8.190 nan 0.000 0.452 287 I N 0.970 121.584 120.570 0.074 0.000 2.127 287 I HA -0.278 3.891 4.170 -0.001 0.000 0.241 287 I C 2.232 178.362 176.117 0.020 0.000 1.075 287 I CA 1.922 63.220 61.300 -0.003 0.000 1.334 287 I CB -1.781 36.215 38.000 -0.007 0.000 1.040 287 I HN 0.475 nan 8.210 nan 0.000 0.405 288 N N -0.498 118.229 118.700 0.045 0.000 2.094 288 N HA -0.266 4.473 4.740 -0.001 0.000 0.191 288 N C 2.062 177.605 175.510 0.054 0.000 1.023 288 N CA 1.196 54.269 53.050 0.037 0.000 0.857 288 N CB -0.332 38.179 38.487 0.040 0.000 1.013 288 N HN 0.479 nan 8.380 nan 0.000 0.426 289 H N 1.172 120.243 119.070 0.002 0.000 2.270 289 H HA -0.068 4.487 4.556 -0.001 0.000 0.299 289 H C 2.091 177.419 175.328 -0.001 0.000 1.077 289 H CA 1.313 57.359 56.048 -0.003 0.000 1.294 289 H CB -0.221 29.542 29.762 0.002 0.000 1.371 289 H HN 0.088 nan 8.280 nan 0.000 0.491 290 L N 1.138 122.493 121.223 0.219 0.000 2.046 290 L HA -0.066 4.273 4.340 -0.001 0.000 0.208 290 L C 3.056 179.914 176.870 -0.020 0.000 1.077 290 L CA 1.784 56.694 54.840 0.116 0.000 0.747 290 L CB -1.293 40.815 42.059 0.081 0.000 0.896 290 L HN 0.392 nan 8.230 nan 0.000 0.432 291 A N -0.771 122.029 122.820 -0.034 0.000 1.940 291 A HA -0.155 4.164 4.320 -0.001 0.000 0.219 291 A C 2.329 179.888 177.584 -0.042 0.000 1.176 291 A CA 1.597 53.610 52.037 -0.040 0.000 0.631 291 A CB -0.912 18.070 19.000 -0.030 0.000 0.814 291 A HN 0.395 nan 8.150 nan 0.000 0.446 292 A N -1.018 121.766 122.820 -0.061 0.000 2.259 292 A HA -0.030 4.289 4.320 -0.001 0.000 0.212 292 A C 1.751 179.285 177.584 -0.083 0.000 1.178 292 A CA 1.429 53.422 52.037 -0.072 0.000 0.734 292 A CB -0.308 18.634 19.000 -0.096 0.000 0.774 292 A HN 0.530 nan 8.150 nan 0.000 0.481 293 K N -1.897 118.454 120.400 -0.082 0.000 2.387 293 K HA 0.304 4.623 4.320 -0.001 0.000 0.203 293 K C 1.007 177.587 176.600 -0.034 0.000 1.030 293 K CA 0.439 56.686 56.287 -0.066 0.000 1.099 293 K CB 0.401 32.857 32.500 -0.073 0.000 0.863 293 K HN 0.527 nan 8.250 nan 0.000 0.529 294 G N 1.368 110.151 108.800 -0.029 0.000 2.213 294 G HA2 -0.249 3.710 3.960 -0.001 0.000 0.236 294 G HA3 -0.249 3.710 3.960 -0.001 0.000 0.236 294 G C -0.233 174.659 174.900 -0.013 0.000 0.991 294 G CA -0.342 44.749 45.100 -0.015 0.000 0.629 294 G HN 0.334 nan 8.290 nan 0.000 0.517 295 E N 1.175 121.362 120.200 -0.022 0.000 2.414 295 E HA 0.215 4.564 4.350 -0.001 0.000 0.263 295 E C 0.120 176.700 176.600 -0.034 0.000 1.000 295 E CA 0.065 56.446 56.400 -0.032 0.000 0.914 295 E CB 0.401 30.066 29.700 -0.057 0.000 0.948 295 E HN 0.092 nan 8.360 nan 0.000 0.444 296 K N 4.362 124.754 120.400 -0.013 0.000 2.518 296 K HA 0.187 4.506 4.320 -0.001 0.000 0.244 296 K C 0.191 176.805 176.600 0.024 0.000 1.232 296 K CA -0.099 56.197 56.287 0.015 0.000 1.189 296 K CB -0.476 32.045 32.500 0.034 0.000 1.737 296 K HN 0.424 nan 8.250 nan 0.000 0.333 297 I N -3.283 117.267 120.570 -0.034 0.000 3.023 297 I HA 0.844 5.013 4.170 -0.001 0.000 0.312 297 I C -0.100 176.055 176.117 0.064 0.000 1.056 297 I CA -0.796 60.483 61.300 -0.034 0.000 1.033 297 I CB 1.877 39.577 38.000 -0.499 0.000 1.233 297 I HN 0.240 nan 8.210 nan 0.000 0.462 298 G N 2.179 111.109 108.800 0.216 0.000 2.663 298 G HA2 0.634 4.593 3.960 -0.001 0.000 0.299 298 G HA3 0.634 4.593 3.960 -0.001 0.000 0.299 298 G C -2.242 172.807 174.900 0.249 0.000 1.372 298 G CA -0.628 44.589 45.100 0.194 0.000 0.781 298 G HN 0.856 nan 8.290 nan 0.000 0.491 299 L N -0.614 120.614 121.223 0.009 0.000 2.482 299 L HA 0.771 5.110 4.340 -0.001 0.000 0.263 299 L C -1.475 175.473 176.870 0.130 0.000 0.957 299 L CA -0.677 54.239 54.840 0.127 0.000 0.836 299 L CB 1.972 44.094 42.059 0.105 0.000 1.324 299 L HN 0.505 nan 8.230 nan 0.000 0.406 300 I N 4.269 125.013 120.570 0.289 0.000 2.355 300 I HA 0.368 4.538 4.170 -0.001 0.000 0.288 300 I C -0.359 175.955 176.117 0.328 0.000 0.999 300 I CA -0.682 60.827 61.300 0.349 0.000 1.163 300 I CB 1.317 39.550 38.000 0.390 0.000 1.316 300 I HN 0.565 nan 8.210 nan 0.000 0.454 301 K N 5.876 126.442 120.400 0.278 0.000 2.276 301 K HA 0.336 4.655 4.320 -0.001 0.000 0.285 301 K C -0.411 176.348 176.600 0.264 0.000 1.062 301 K CA -0.433 55.998 56.287 0.240 0.000 0.918 301 K CB 2.010 34.618 32.500 0.179 0.000 1.055 301 K HN 0.431 nan 8.250 nan 0.000 0.477 302 V N 3.593 123.657 119.914 0.249 0.000 2.432 302 V HA 0.266 4.385 4.120 -0.001 0.000 0.275 302 V C 0.328 176.396 176.094 -0.043 0.000 1.043 302 V CA -0.137 62.216 62.300 0.088 0.000 0.925 302 V CB 1.326 33.315 31.823 0.277 0.000 0.985 302 V HN 0.724 nan 8.190 nan 0.000 0.466 303 R N 4.341 124.714 120.500 -0.211 0.000 2.056 303 R HA 0.442 4.781 4.340 -0.001 0.000 0.215 303 R C 0.240 176.464 176.300 -0.126 0.000 1.205 303 R CA 0.443 56.461 56.100 -0.137 0.000 1.020 303 R CB -0.427 29.811 30.300 -0.104 0.000 0.911 303 R HN 0.652 nan 8.270 nan 0.000 0.451 304 L N 1.596 122.673 121.223 -0.242 0.000 2.268 304 L HA 0.169 4.508 4.340 -0.001 0.000 0.289 304 L C 0.141 176.944 176.870 -0.113 0.000 1.064 304 L CA -0.053 54.718 54.840 -0.116 0.000 0.824 304 L CB 0.689 42.683 42.059 -0.108 0.000 1.202 304 L HN 0.233 nan 8.230 nan 0.000 0.433 305 Y N 4.848 125.167 120.300 0.031 0.000 2.420 305 Y HA 0.289 4.839 4.550 -0.001 0.000 0.292 305 Y C 0.343 176.397 175.900 0.256 0.000 1.119 305 Y CA 0.514 58.734 58.100 0.200 0.000 1.229 305 Y CB 0.298 38.929 38.460 0.286 0.000 1.026 305 Y HN 0.413 nan 8.280 nan 0.000 0.554 306 R N 0.424 120.923 120.500 -0.002 0.000 2.522 306 R HA 0.329 4.668 4.340 -0.001 0.000 0.283 306 R C -3.076 173.203 176.300 -0.035 0.000 1.074 306 R CA -2.328 53.736 56.100 -0.060 0.000 0.925 306 R CB 1.445 31.713 30.300 -0.053 0.000 1.205 306 R HN -0.020 nan 8.270 nan 0.000 0.436 307 P HA 0.133 nan 4.420 nan 0.000 0.272 307 P C -0.622 176.726 177.300 0.080 0.000 1.223 307 P CA -0.207 62.928 63.100 0.058 0.000 0.784 307 P CB 0.401 32.165 31.700 0.107 0.000 0.923 308 F N 3.313 123.235 119.950 -0.048 0.000 2.375 308 F HA 0.260 4.787 4.527 -0.001 0.000 0.362 308 F C -0.408 175.453 175.800 0.103 0.000 1.129 308 F CA -0.379 57.637 58.000 0.026 0.000 1.154 308 F CB 0.391 39.338 39.000 -0.088 0.000 1.205 308 F HN -0.063 nan 8.300 nan 0.000 0.513 309 V N 6.785 126.723 119.914 0.039 0.000 2.320 309 V HA 0.060 4.179 4.120 -0.001 0.000 0.265 309 V C 0.900 176.993 176.094 -0.002 0.000 1.048 309 V CA 0.026 62.382 62.300 0.094 0.000 0.865 309 V CB 0.568 32.468 31.823 0.129 0.000 1.043 309 V HN 0.943 nan 8.190 nan 0.000 0.474 310 S N 3.077 118.827 115.700 0.084 0.000 2.383 310 S HA -0.230 4.239 4.470 -0.001 0.000 0.229 310 S C 1.884 176.526 174.600 0.070 0.000 1.030 310 S CA 1.910 60.142 58.200 0.052 0.000 1.002 310 S CB -0.058 63.255 63.200 0.189 0.000 0.829 310 S HN 0.936 nan 8.310 nan 0.000 0.467 311 E N 1.429 121.704 120.200 0.125 0.000 2.058 311 E HA -0.169 4.180 4.350 -0.001 0.000 0.194 311 E C 2.089 178.734 176.600 0.075 0.000 0.997 311 E CA 1.177 57.660 56.400 0.139 0.000 0.801 311 E CB -0.327 29.436 29.700 0.105 0.000 0.746 311 E HN 0.479 nan 8.360 nan 0.000 0.450 312 A N 0.212 123.070 122.820 0.064 0.000 1.969 312 A HA -0.137 4.182 4.320 -0.001 0.000 0.218 312 A C 1.988 179.515 177.584 -0.094 0.000 1.169 312 A CA 1.191 53.292 52.037 0.106 0.000 0.635 312 A CB -0.813 18.373 19.000 0.310 0.000 0.810 312 A HN 0.554 nan 8.150 nan 0.000 0.445 313 F N -0.489 119.031 119.950 -0.716 0.000 2.146 313 F HA -0.070 4.456 4.527 -0.001 0.000 0.298 313 F C 1.785 177.200 175.800 -0.643 0.000 1.096 313 F CA 1.408 58.659 58.000 -1.249 0.000 1.275 313 F CB -0.381 37.661 39.000 -1.597 0.000 1.008 313 F HN 0.209 nan 8.300 nan 0.000 0.480 314 F N 0.314 120.019 119.950 -0.409 0.000 2.325 314 F HA -0.014 4.512 4.527 -0.001 0.000 0.299 314 F C 2.528 178.143 175.800 -0.309 0.000 1.090 314 F CA 0.694 58.445 58.000 -0.414 0.000 1.392 314 F CB -0.765 38.106 39.000 -0.215 0.000 1.053 314 F HN 0.077 nan 8.300 nan 0.000 0.521 315 A N -0.135 122.654 122.820 -0.053 0.000 2.076 315 A HA -0.043 4.277 4.320 -0.001 0.000 0.220 315 A C 2.114 179.654 177.584 -0.073 0.000 1.160 315 A CA 1.646 53.666 52.037 -0.028 0.000 0.653 315 A CB -0.822 18.190 19.000 0.020 0.000 0.801 315 A HN 0.294 nan 8.150 nan 0.000 0.455 316 A N -1.515 121.208 122.820 -0.162 0.000 2.348 316 A HA 0.489 4.808 4.320 -0.001 0.000 0.224 316 A C 0.649 178.060 177.584 -0.288 0.000 1.227 316 A CA -0.236 51.727 52.037 -0.124 0.000 0.885 316 A CB 0.012 19.026 19.000 0.024 0.000 0.933 316 A HN 0.392 nan 8.150 nan 0.000 0.506 317 L N 1.968 122.968 121.223 -0.372 0.000 2.260 317 L HA 0.354 4.693 4.340 -0.001 0.000 0.289 317 L C -2.659 174.057 176.870 -0.257 0.000 1.057 317 L CA -1.851 52.784 54.840 -0.341 0.000 0.811 317 L CB 1.439 43.307 42.059 -0.319 0.000 1.184 317 L HN 0.042 nan 8.230 nan 0.000 0.429 318 P HA 0.064 nan 4.420 nan 0.000 0.267 318 P C 0.231 177.482 177.300 -0.082 0.000 1.205 318 P CA -0.038 62.910 63.100 -0.253 0.000 0.765 318 P CB 1.097 32.628 31.700 -0.283 0.000 0.828 319 A N 2.961 125.748 122.820 -0.055 0.000 2.070 319 A HA -0.145 4.174 4.320 -0.001 0.000 0.220 319 A C 1.900 179.494 177.584 0.016 0.000 1.159 319 A CA 1.864 53.897 52.037 -0.006 0.000 0.656 319 A CB -1.100 17.890 19.000 -0.015 0.000 0.800 319 A HN 0.575 nan 8.150 nan 0.000 0.453 320 S N -0.382 115.322 115.700 0.007 0.000 2.562 320 S HA 0.444 4.913 4.470 -0.001 0.000 0.221 320 S C 0.957 175.585 174.600 0.047 0.000 0.975 320 S CA 0.257 58.472 58.200 0.025 0.000 0.918 320 S CB -0.589 62.623 63.200 0.021 0.000 0.772 320 S HN 0.862 nan 8.310 nan 0.000 0.531 321 A N 1.725 124.580 122.820 0.057 0.000 2.522 321 A HA 0.332 4.651 4.320 -0.001 0.000 0.256 321 A C 0.985 178.622 177.584 0.087 0.000 1.086 321 A CA -0.219 51.872 52.037 0.090 0.000 0.763 321 A CB 0.152 19.223 19.000 0.119 0.000 1.024 321 A HN 0.504 nan 8.150 nan 0.000 0.502 322 K N 1.299 121.745 120.400 0.077 0.000 2.370 322 K HA 0.270 4.589 4.320 -0.001 0.000 0.194 322 K C -0.606 176.023 176.600 0.048 0.000 1.070 322 K CA 0.477 56.797 56.287 0.056 0.000 0.998 322 K CB 0.767 33.296 32.500 0.048 0.000 0.911 322 K HN 0.510 nan 8.250 nan 0.000 0.533 323 V N 2.384 122.340 119.914 0.071 0.000 2.686 323 V HA 0.434 4.554 4.120 -0.001 0.000 0.306 323 V C -0.955 175.201 176.094 0.103 0.000 1.065 323 V CA -1.011 61.330 62.300 0.067 0.000 0.894 323 V CB 2.188 34.054 31.823 0.072 0.000 1.004 323 V HN 0.146 nan 8.190 nan 0.000 0.424 324 I N 3.107 123.731 120.570 0.091 0.000 2.619 324 I HA 0.846 5.015 4.170 -0.001 0.000 0.292 324 I C -0.613 175.586 176.117 0.138 0.000 1.100 324 I CA -0.151 61.235 61.300 0.143 0.000 1.043 324 I CB 2.579 40.700 38.000 0.202 0.000 1.239 324 I HN 0.765 nan 8.210 nan 0.000 0.420 325 T N 5.513 120.155 114.554 0.146 0.000 2.824 325 T HA 0.621 4.970 4.350 -0.001 0.000 0.282 325 T C -0.824 173.962 174.700 0.143 0.000 0.993 325 T CA -0.496 61.686 62.100 0.137 0.000 0.967 325 T CB 1.441 70.407 68.868 0.162 0.000 0.960 325 T HN 0.423 nan 8.240 nan 0.000 0.441 326 V N 5.476 125.479 119.914 0.149 0.000 2.383 326 V HA 0.422 4.542 4.120 -0.001 0.000 0.275 326 V C -0.294 175.845 176.094 0.076 0.000 1.036 326 V CA -0.904 61.501 62.300 0.175 0.000 0.889 326 V CB 0.822 32.804 31.823 0.264 0.000 0.985 326 V HN 0.752 nan 8.190 nan 0.000 0.459 327 L N 4.977 126.253 121.223 0.088 0.000 2.264 327 L HA 0.503 4.842 4.340 -0.001 0.000 0.289 327 L C 0.105 177.124 176.870 0.249 0.000 1.044 327 L CA 0.247 55.124 54.840 0.063 0.000 0.807 327 L CB 0.952 42.910 42.059 -0.169 0.000 1.192 327 L HN 0.606 nan 8.230 nan 0.000 0.425 328 D N 3.276 123.797 120.400 0.203 0.000 2.308 328 D HA 0.244 4.883 4.640 -0.001 0.000 0.242 328 D C 0.145 176.450 176.300 0.010 0.000 1.059 328 D CA -0.415 53.696 54.000 0.185 0.000 0.830 328 D CB 1.894 42.724 40.800 0.049 0.000 1.161 328 D HN 0.330 nan 8.370 nan 0.000 0.494 329 R N 1.780 122.208 120.500 -0.119 0.000 4.031 329 R HA 0.170 4.509 4.340 -0.001 0.000 0.269 329 R C -0.270 175.877 176.300 -0.254 0.000 1.668 329 R CA 0.082 55.799 56.100 -0.639 0.000 1.432 329 R CB 0.116 29.744 30.300 -1.120 0.000 1.374 329 R HN 0.319 nan 8.270 nan 0.000 0.681 330 T N -0.827 113.680 114.554 -0.079 0.000 2.711 330 T HA 0.347 4.696 4.350 -0.001 0.000 0.302 330 T C -2.117 172.556 174.700 -0.044 0.000 1.373 330 T CA -0.788 61.313 62.100 0.002 0.000 1.000 330 T CB 1.440 70.425 68.868 0.195 0.000 1.483 330 T HN 0.139 nan 8.240 nan 0.000 0.499 331 K N 1.785 122.168 120.400 -0.029 0.000 2.578 331 K HA 0.479 4.798 4.320 -0.001 0.000 0.250 331 K C -1.461 175.119 176.600 -0.033 0.000 0.955 331 K CA -0.291 55.971 56.287 -0.041 0.000 0.825 331 K CB 1.340 33.818 32.500 -0.036 0.000 1.151 331 K HN 0.550 nan 8.250 nan 0.000 0.432 332 E N 5.548 125.718 120.200 -0.049 0.000 2.256 332 E HA 0.261 4.610 4.350 -0.001 0.000 0.243 332 E C -2.298 174.279 176.600 -0.038 0.000 0.925 332 E CA -2.064 54.311 56.400 -0.042 0.000 0.748 332 E CB 1.034 30.697 29.700 -0.062 0.000 1.206 332 E HN 0.446 nan 8.360 nan 0.000 0.428 333 P HA -0.068 nan 4.420 nan 0.000 0.260 333 P C 0.900 178.182 177.300 -0.030 0.000 1.172 333 P CA 0.920 64.004 63.100 -0.027 0.000 0.760 333 P CB 0.567 32.258 31.700 -0.014 0.000 0.773 334 G N 1.933 110.710 108.800 -0.039 0.000 2.267 334 G HA2 -0.231 3.728 3.960 -0.001 0.000 0.257 334 G HA3 -0.231 3.728 3.960 -0.001 0.000 0.257 334 G C 0.496 175.370 174.900 -0.043 0.000 0.998 334 G CA 0.047 45.123 45.100 -0.039 0.000 0.620 334 G HN 0.879 nan 8.290 nan 0.000 0.529 335 A N 1.156 123.951 122.820 -0.043 0.000 2.407 335 A HA 0.654 4.973 4.320 -0.001 0.000 0.248 335 A C 0.183 177.744 177.584 -0.040 0.000 1.082 335 A CA -0.096 51.921 52.037 -0.034 0.000 0.785 335 A CB 0.435 19.416 19.000 -0.031 0.000 1.020 335 A HN 0.244 nan 8.150 nan 0.000 0.489 336 P HA 0.089 nan 4.420 nan 0.000 0.230 336 P C 0.547 177.894 177.300 0.078 0.000 1.158 336 P CA 1.473 64.572 63.100 -0.001 0.000 0.769 336 P CB 0.129 31.856 31.700 0.045 0.000 0.807 337 G N -0.841 108.025 108.800 0.109 0.000 2.387 337 G HA2 0.183 4.142 3.960 -0.001 0.000 0.294 337 G HA3 0.183 4.142 3.960 -0.001 0.000 0.294 337 G C -1.834 173.126 174.900 0.101 0.000 1.509 337 G CA -0.634 44.579 45.100 0.188 0.000 0.806 337 G HN -0.204 nan 8.290 nan 0.000 0.546 338 D N 0.687 121.108 120.400 0.035 0.000 2.377 338 D HA 0.278 4.917 4.640 -0.001 0.000 0.245 338 D C -1.184 175.060 176.300 -0.094 0.000 1.196 338 D CA -1.150 52.805 54.000 -0.075 0.000 0.962 338 D CB 1.401 42.127 40.800 -0.123 0.000 1.127 338 D HN -0.007 nan 8.370 nan 0.000 0.471 339 P HA -0.207 nan 4.420 nan 0.000 0.214 339 P C 1.584 178.842 177.300 -0.070 0.000 1.172 339 P CA 0.918 63.823 63.100 -0.325 0.000 0.925 339 P CB 0.119 31.264 31.700 -0.926 0.000 0.793 340 L N -1.927 119.299 121.223 0.006 0.000 2.046 340 L HA -0.181 4.158 4.340 -0.001 0.000 0.208 340 L C 2.432 179.370 176.870 0.113 0.000 1.077 340 L CA 1.722 56.692 54.840 0.216 0.000 0.747 340 L CB -1.741 40.511 42.059 0.322 0.000 0.896 340 L HN -0.045 nan 8.230 nan 0.000 0.432 341 Y N -0.683 119.607 120.300 -0.016 0.000 2.128 341 Y HA -0.294 4.256 4.550 -0.001 0.000 0.284 341 Y C 2.242 178.105 175.900 -0.062 0.000 1.154 341 Y CA 1.950 60.029 58.100 -0.034 0.000 1.149 341 Y CB -0.491 37.934 38.460 -0.058 0.000 0.976 341 Y HN 0.181 nan 8.280 nan 0.000 0.505 342 L N 0.805 121.945 121.223 -0.139 0.000 2.042 342 L HA -0.243 4.096 4.340 -0.001 0.000 0.210 342 L C 2.131 178.811 176.870 -0.318 0.000 1.076 342 L CA 2.005 56.696 54.840 -0.249 0.000 0.749 342 L CB -1.242 40.755 42.059 -0.104 0.000 0.893 342 L HN 0.281 nan 8.230 nan 0.000 0.432 343 D N -1.011 119.173 120.400 -0.359 0.000 2.097 343 D HA -0.134 4.505 4.640 -0.001 0.000 0.195 343 D C 2.391 178.299 176.300 -0.655 0.000 0.989 343 D CA 1.184 54.780 54.000 -0.674 0.000 0.827 343 D CB -0.213 39.912 40.800 -1.126 0.000 0.966 343 D HN 0.143 nan 8.370 nan 0.000 0.456 344 V N 0.728 120.368 119.914 -0.457 0.000 2.343 344 V HA -0.261 3.858 4.120 -0.001 0.000 0.247 344 V C 2.736 178.765 176.094 -0.108 0.000 1.051 344 V CA 1.203 63.301 62.300 -0.337 0.000 1.036 344 V CB -0.524 31.206 31.823 -0.155 0.000 0.654 344 V HN 0.284 nan 8.190 nan 0.000 0.451 345 C N 0.621 119.783 119.300 -0.229 0.000 2.413 345 C HA -0.176 4.283 4.460 -0.001 0.000 0.276 345 C C 3.324 178.301 174.990 -0.021 0.000 1.236 345 C CA 1.666 60.594 59.018 -0.150 0.000 1.735 345 C CB -1.132 26.372 27.740 -0.393 0.000 2.031 345 C HN 0.788 nan 8.230 nan 0.000 0.474 346 S N 1.684 117.311 115.700 -0.122 0.000 2.382 346 S HA -0.133 4.337 4.470 -0.001 0.000 0.228 346 S C 1.987 176.590 174.600 0.004 0.000 1.027 346 S CA 1.615 59.773 58.200 -0.071 0.000 0.991 346 S CB -0.570 62.548 63.200 -0.136 0.000 0.823 346 S HN 0.627 nan 8.310 nan 0.000 0.469 347 A N 1.029 123.825 122.820 -0.040 0.000 1.908 347 A HA 0.074 4.393 4.320 -0.001 0.000 0.218 347 A C 1.946 179.665 177.584 0.225 0.000 1.181 347 A CA 1.538 53.596 52.037 0.035 0.000 0.627 347 A CB -1.150 17.685 19.000 -0.275 0.000 0.818 347 A HN 0.583 nan 8.150 nan 0.000 0.445 348 F N -0.259 119.856 119.950 0.275 0.000 2.146 348 F HA -0.146 4.380 4.527 -0.001 0.000 0.298 348 F C 2.575 178.461 175.800 0.144 0.000 1.096 348 F CA 1.687 59.870 58.000 0.305 0.000 1.275 348 F CB -0.423 38.706 39.000 0.215 0.000 1.008 348 F HN 0.182 nan 8.300 nan 0.000 0.480 349 V N -1.415 118.651 119.914 0.253 0.000 2.515 349 V HA -0.204 3.915 4.120 -0.001 0.000 0.250 349 V C 1.860 178.015 176.094 0.102 0.000 1.058 349 V CA 2.120 64.505 62.300 0.141 0.000 1.064 349 V CB -0.559 31.313 31.823 0.082 0.000 0.675 349 V HN 0.414 nan 8.190 nan 0.000 0.461 350 E N 0.235 120.497 120.200 0.104 0.000 2.107 350 E HA -0.162 4.187 4.350 -0.001 0.000 0.191 350 E C 2.449 179.082 176.600 0.055 0.000 0.982 350 E CA 0.877 57.321 56.400 0.074 0.000 0.809 350 E CB -0.185 29.563 29.700 0.081 0.000 0.756 350 E HN 0.605 nan 8.360 nan 0.000 0.459 351 R N 0.201 120.735 120.500 0.057 0.000 2.096 351 R HA -0.104 4.235 4.340 -0.001 0.000 0.235 351 R C 0.975 177.249 176.300 -0.042 0.000 1.127 351 R CA 1.254 57.311 56.100 -0.072 0.000 0.968 351 R CB -0.405 29.720 30.300 -0.292 0.000 0.861 351 R HN 0.288 nan 8.270 nan 0.000 0.440 352 G N 1.143 109.958 108.800 0.024 0.000 2.323 352 G HA2 -0.290 3.670 3.960 -0.001 0.000 0.292 352 G HA3 -0.290 3.670 3.960 -0.001 0.000 0.292 352 G C -0.265 174.642 174.900 0.011 0.000 1.040 352 G CA 1.109 46.226 45.100 0.027 0.000 0.942 352 G HN 0.575 nan 8.290 nan 0.000 0.506 353 E N -0.577 119.634 120.200 0.017 0.000 4.442 353 E HA 0.693 5.042 4.350 -0.001 0.000 0.185 353 E C 1.021 177.652 176.600 0.052 0.000 1.080 353 E CA -0.500 55.905 56.400 0.007 0.000 0.993 353 E CB 0.105 29.776 29.700 -0.047 0.000 1.905 353 E HN 0.744 nan 8.360 nan 0.000 0.416 354 A N 1.564 124.419 122.820 0.059 0.000 2.511 354 A HA 0.242 4.562 4.320 -0.001 0.000 0.242 354 A C -0.244 177.433 177.584 0.156 0.000 1.069 354 A CA 0.423 52.513 52.037 0.088 0.000 0.763 354 A CB -0.034 19.015 19.000 0.082 0.000 1.001 354 A HN 0.286 nan 8.150 nan 0.000 0.498 355 M N 5.271 124.923 119.600 0.086 0.000 2.065 355 M HA 0.225 4.705 4.480 -0.001 0.000 0.332 355 M C -1.841 174.425 176.300 -0.056 0.000 0.988 355 M CA -1.978 53.337 55.300 0.024 0.000 0.944 355 M CB 0.820 33.432 32.600 0.020 0.000 1.357 355 M HN 0.536 nan 8.290 nan 0.000 0.388 356 P HA 0.023 nan 4.420 nan 0.000 0.263 356 P C -0.247 176.982 177.300 -0.117 0.000 1.386 356 P CA 0.001 63.045 63.100 -0.093 0.000 0.797 356 P CB 0.083 31.764 31.700 -0.032 0.000 1.381 357 K N 0.700 121.023 120.400 -0.129 0.000 6.536 357 K HA -0.148 4.171 4.320 -0.001 0.000 0.703 357 K C -1.103 175.453 176.600 -0.072 0.000 1.892 357 K CA 0.457 56.701 56.287 -0.072 0.000 1.651 357 K CB -1.879 30.610 32.500 -0.018 0.000 1.852 357 K HN 0.272 nan 8.250 nan 0.000 0.324 358 I N 4.941 125.475 120.570 -0.060 0.000 2.441 358 I HA 0.450 4.619 4.170 -0.001 0.000 0.295 358 I C -0.202 175.979 176.117 0.107 0.000 0.994 358 I CA -1.397 59.911 61.300 0.014 0.000 1.144 358 I CB 1.138 39.119 38.000 -0.033 0.000 1.314 358 I HN 0.279 nan 8.210 nan 0.000 0.445 359 L N 4.769 126.053 121.223 0.100 0.000 2.354 359 L HA 0.766 5.105 4.340 -0.001 0.000 0.269 359 L C -0.076 176.718 176.870 -0.127 0.000 1.005 359 L CA -0.678 54.160 54.840 -0.003 0.000 0.819 359 L CB 1.794 43.905 42.059 0.087 0.000 1.311 359 L HN 0.696 nan 8.230 nan 0.000 0.423 360 A N 0.912 123.406 122.820 -0.543 0.000 2.330 360 A HA 0.908 5.227 4.320 -0.001 0.000 0.327 360 A C -0.149 176.911 177.584 -0.874 0.000 1.155 360 A CA -0.103 51.491 52.037 -0.739 0.000 0.803 360 A CB 1.275 19.450 19.000 -1.376 0.000 1.208 360 A HN 0.753 nan 8.150 nan 0.000 0.477 361 G N 0.786 109.066 108.800 -0.867 0.000 2.638 361 G HA2 0.582 4.541 3.960 -0.001 0.000 0.302 361 G HA3 0.582 4.541 3.960 -0.001 0.000 0.302 361 G C -0.865 173.704 174.900 -0.551 0.000 1.365 361 G CA -0.675 43.536 45.100 -1.480 0.000 0.987 361 G HN 0.860 nan 8.290 nan 0.000 0.495 362 R N 0.620 120.896 120.500 -0.374 0.000 2.514 362 R HA 0.722 5.061 4.340 -0.001 0.000 0.301 362 R C -1.138 175.209 176.300 0.079 0.000 0.962 362 R CA -0.762 55.281 56.100 -0.095 0.000 0.882 362 R CB 1.294 31.528 30.300 -0.110 0.000 1.143 362 R HN 0.732 nan 8.270 nan 0.000 0.452 363 Y N 0.108 120.323 120.300 -0.142 0.000 2.705 363 Y HA 0.516 5.065 4.550 -0.001 0.000 0.332 363 Y C 0.525 176.339 175.900 -0.144 0.000 1.221 363 Y CA -0.985 57.039 58.100 -0.127 0.000 1.059 363 Y CB 0.567 38.832 38.460 -0.325 0.000 1.298 363 Y HN 0.724 nan 8.280 nan 0.000 0.459 364 G N 0.994 109.725 108.800 -0.116 0.000 2.309 364 G HA2 -0.297 3.662 3.960 -0.001 0.000 0.286 364 G HA3 -0.297 3.662 3.960 -0.001 0.000 0.286 364 G C -0.400 174.372 174.900 -0.213 0.000 1.002 364 G CA 0.464 45.461 45.100 -0.172 0.000 0.786 364 G HN 0.632 nan 8.290 nan 0.000 0.511 365 L N 0.186 121.303 121.223 -0.176 0.000 2.525 365 L HA 0.446 4.785 4.340 -0.001 0.000 0.278 365 L C 1.770 178.617 176.870 -0.038 0.000 1.218 365 L CA 1.572 56.344 54.840 -0.112 0.000 0.878 365 L CB 0.171 42.188 42.059 -0.071 0.000 1.127 365 L HN 1.226 nan 8.230 nan 0.000 0.492 366 G N 2.876 111.685 108.800 0.015 0.000 2.366 366 G HA2 -0.305 3.654 3.960 -0.001 0.000 0.299 366 G HA3 -0.305 3.654 3.960 -0.001 0.000 0.299 366 G C 0.792 175.737 174.900 0.076 0.000 1.020 366 G CA 0.527 45.686 45.100 0.098 0.000 1.026 366 G HN 0.872 nan 8.290 nan 0.000 0.512 367 S N -2.330 113.424 115.700 0.089 0.000 3.445 367 S HA -0.249 4.221 4.470 -0.001 0.000 0.319 367 S C 1.128 175.716 174.600 -0.021 0.000 1.209 367 S CA 1.917 60.160 58.200 0.072 0.000 0.934 367 S CB -0.612 62.679 63.200 0.152 0.000 0.999 367 S HN 1.522 nan 8.310 nan 0.000 0.582 368 K N 2.568 122.955 120.400 -0.022 0.000 2.489 368 K HA 0.075 4.394 4.320 -0.001 0.000 0.278 368 K C 0.235 176.871 176.600 0.059 0.000 1.000 368 K CA 0.335 56.617 56.287 -0.008 0.000 1.012 368 K CB 0.404 32.911 32.500 0.011 0.000 0.903 368 K HN 0.129 nan 8.250 nan 0.000 0.485 369 E N 2.843 123.070 120.200 0.045 0.000 2.481 369 E HA -0.102 4.247 4.350 -0.001 0.000 0.263 369 E C -0.775 175.953 176.600 0.212 0.000 0.992 369 E CA 0.670 57.121 56.400 0.085 0.000 0.938 369 E CB 0.140 29.857 29.700 0.029 0.000 0.933 369 E HN 0.544 nan 8.360 nan 0.000 0.453 370 F N 2.796 122.774 119.950 0.048 0.000 2.691 370 F HA 0.129 4.655 4.527 -0.001 0.000 0.371 370 F C 0.148 175.922 175.800 -0.043 0.000 1.159 370 F CA -0.459 57.569 58.000 0.046 0.000 1.174 370 F CB 0.406 39.489 39.000 0.140 0.000 1.419 370 F HN 0.302 nan 8.300 nan 0.000 0.514 371 S N 3.474 118.931 115.700 -0.405 0.000 2.681 371 S HA 0.508 4.977 4.470 -0.001 0.000 0.270 371 S C -2.089 172.070 174.600 -0.734 0.000 1.209 371 S CA -1.173 56.667 58.200 -0.601 0.000 0.988 371 S CB 1.477 64.444 63.200 -0.388 0.000 1.006 371 S HN 0.329 nan 8.310 nan 0.000 0.558 372 P HA -0.013 nan 4.420 nan 0.000 0.216 372 P C 1.532 178.594 177.300 -0.397 0.000 1.150 372 P CA 1.864 64.726 63.100 -0.397 0.000 0.837 372 P CB -0.271 31.329 31.700 -0.167 0.000 0.786 373 A N -1.113 121.524 122.820 -0.306 0.000 1.933 373 A HA -0.197 4.122 4.320 -0.001 0.000 0.218 373 A C 2.150 179.466 177.584 -0.447 0.000 1.175 373 A CA 1.762 53.552 52.037 -0.412 0.000 0.628 373 A CB -1.379 17.529 19.000 -0.153 0.000 0.814 373 A HN 0.131 nan 8.150 nan 0.000 0.444 374 M N -0.926 118.421 119.600 -0.422 0.000 2.200 374 M HA -0.096 4.383 4.480 -0.001 0.000 0.265 374 M C 2.032 178.081 176.300 -0.419 0.000 1.066 374 M CA 1.112 56.189 55.300 -0.372 0.000 1.127 374 M CB -0.287 32.090 32.600 -0.371 0.000 1.379 374 M HN 0.244 nan 8.290 nan 0.000 0.420 375 V N 0.407 119.972 119.914 -0.582 0.000 2.427 375 V HA -0.248 3.871 4.120 -0.001 0.000 0.248 375 V C 2.347 178.312 176.094 -0.214 0.000 1.051 375 V CA 1.698 63.777 62.300 -0.367 0.000 1.048 375 V CB -0.696 30.961 31.823 -0.276 0.000 0.666 375 V HN 0.372 nan 8.190 nan 0.000 0.456 376 K N 0.905 121.066 120.400 -0.397 0.000 2.032 376 K HA -0.156 4.163 4.320 -0.001 0.000 0.209 376 K C 2.345 178.792 176.600 -0.255 0.000 1.048 376 K CA 2.083 58.115 56.287 -0.425 0.000 0.927 376 K CB -0.814 31.058 32.500 -1.048 0.000 0.712 376 K HN 0.395 nan 8.250 nan 0.000 0.441 377 S N -0.195 115.331 115.700 -0.290 0.000 2.359 377 S HA -0.155 4.314 4.470 -0.001 0.000 0.223 377 S C 1.954 176.408 174.600 -0.243 0.000 1.039 377 S CA 1.570 59.628 58.200 -0.236 0.000 1.042 377 S CB -0.495 62.571 63.200 -0.224 0.000 0.915 377 S HN 0.163 nan 8.310 nan 0.000 0.439 378 V N 0.332 120.100 119.914 -0.244 0.000 2.287 378 V HA -0.235 3.884 4.120 -0.001 0.000 0.248 378 V C 1.894 177.846 176.094 -0.236 0.000 1.053 378 V CA 1.831 63.969 62.300 -0.271 0.000 1.027 378 V CB -0.872 30.852 31.823 -0.165 0.000 0.646 378 V HN 0.526 nan 8.190 nan 0.000 0.447 379 Y N 0.237 120.485 120.300 -0.087 0.000 2.200 379 Y HA -0.203 4.346 4.550 -0.001 0.000 0.290 379 Y C 2.563 178.424 175.900 -0.065 0.000 1.137 379 Y CA 1.496 59.566 58.100 -0.051 0.000 1.163 379 Y CB -0.197 38.235 38.460 -0.047 0.000 0.988 379 Y HN 0.293 nan 8.280 nan 0.000 0.518 380 D N -0.398 120.024 120.400 0.037 0.000 2.178 380 D HA -0.168 4.472 4.640 -0.001 0.000 0.202 380 D C 1.735 178.009 176.300 -0.043 0.000 0.974 380 D CA 1.003 54.996 54.000 -0.011 0.000 0.841 380 D CB -0.473 40.291 40.800 -0.059 0.000 0.953 380 D HN 0.304 nan 8.370 nan 0.000 0.478 381 N N 0.300 118.935 118.700 -0.107 0.000 2.120 381 N HA -0.110 4.630 4.740 -0.001 0.000 0.188 381 N C 1.728 177.205 175.510 -0.056 0.000 1.024 381 N CA 0.973 53.940 53.050 -0.140 0.000 0.852 381 N CB -0.120 38.181 38.487 -0.310 0.000 1.003 381 N HN 0.090 nan 8.380 nan 0.000 0.424 382 M N -0.537 119.057 119.600 -0.011 0.000 2.296 382 M HA -0.070 4.409 4.480 -0.001 0.000 0.265 382 M C 1.505 177.830 176.300 0.042 0.000 1.064 382 M CA 1.270 56.592 55.300 0.038 0.000 1.109 382 M CB -0.105 32.546 32.600 0.085 0.000 1.396 382 M HN 0.301 nan 8.290 nan 0.000 0.430 383 S N -1.346 114.376 115.700 0.037 0.000 2.517 383 S HA 0.231 4.700 4.470 -0.001 0.000 0.214 383 S C 1.223 175.831 174.600 0.013 0.000 0.991 383 S CA 0.013 58.232 58.200 0.032 0.000 0.906 383 S CB 0.049 63.272 63.200 0.039 0.000 0.789 383 S HN 0.420 nan 8.310 nan 0.000 0.513 384 G N 1.372 110.170 108.800 -0.002 0.000 3.434 384 G HA2 0.569 4.528 3.960 -0.001 0.000 0.192 384 G HA3 0.569 4.528 3.960 -0.001 0.000 0.192 384 G C 1.327 176.220 174.900 -0.012 0.000 1.704 384 G CA -0.015 45.078 45.100 -0.011 0.000 0.936 384 G HN 0.431 nan 8.290 nan 0.000 0.623 385 A N -0.592 122.214 122.820 -0.024 0.000 1.978 385 A HA 0.085 4.404 4.320 -0.001 0.000 0.220 385 A C 1.346 178.926 177.584 -0.008 0.000 1.170 385 A CA 2.043 54.070 52.037 -0.017 0.000 0.636 385 A CB -0.620 18.364 19.000 -0.026 0.000 0.810 385 A HN 0.656 nan 8.150 nan 0.000 0.448 386 K N -1.177 119.212 120.400 -0.017 0.000 3.162 386 K HA -0.163 4.156 4.320 -0.001 0.000 0.268 386 K C -0.100 176.517 176.600 0.028 0.000 1.062 386 K CA 0.893 57.183 56.287 0.006 0.000 0.769 386 K CB -1.462 31.050 32.500 0.020 0.000 1.274 386 K HN 0.692 nan 8.250 nan 0.000 0.478 387 K N 1.460 121.869 120.400 0.015 0.000 2.401 387 K HA 0.057 4.376 4.320 -0.001 0.000 0.278 387 K C 0.085 176.789 176.600 0.173 0.000 1.018 387 K CA -0.088 56.240 56.287 0.069 0.000 0.981 387 K CB 0.509 33.035 32.500 0.043 0.000 0.933 387 K HN 0.126 nan 8.250 nan 0.000 0.477 388 N N 1.602 120.382 118.700 0.133 0.000 2.477 388 N HA 0.145 4.884 4.740 -0.001 0.000 0.284 388 N C -1.176 174.363 175.510 0.048 0.000 1.182 388 N CA -0.123 52.950 53.050 0.038 0.000 0.949 388 N CB 0.467 38.934 38.487 -0.033 0.000 1.204 388 N HN 0.702 nan 8.380 nan 0.000 0.526 389 H N -0.615 118.370 119.070 -0.143 0.000 2.604 389 H HA -0.209 4.346 4.556 -0.001 0.000 0.321 389 H C -0.573 174.693 175.328 -0.104 0.000 1.132 389 H CA 1.128 57.042 56.048 -0.222 0.000 1.129 389 H CB -1.828 27.836 29.762 -0.163 0.000 1.526 389 H HN 0.372 nan 8.280 nan 0.000 0.415 390 F N -1.096 118.842 119.950 -0.019 0.000 2.410 390 F HA 0.737 5.264 4.527 -0.001 0.000 0.324 390 F C 0.503 176.308 175.800 0.008 0.000 1.093 390 F CA -0.523 57.476 58.000 -0.001 0.000 1.028 390 F CB 1.047 40.039 39.000 -0.014 0.000 1.309 390 F HN 0.058 nan 8.300 nan 0.000 0.499 391 T N -0.678 114.111 114.554 0.392 0.000 2.893 391 T HA 0.757 5.106 4.350 -0.001 0.000 0.291 391 T C -1.256 173.664 174.700 0.367 0.000 1.028 391 T CA -0.773 61.487 62.100 0.268 0.000 0.995 391 T CB 1.323 70.267 68.868 0.126 0.000 1.051 391 T HN 0.760 nan 8.240 nan 0.000 0.470 392 V N 0.991 121.105 119.914 0.332 0.000 2.638 392 V HA 0.843 4.962 4.120 -0.001 0.000 0.306 392 V C 1.088 177.318 176.094 0.226 0.000 1.052 392 V CA -0.146 62.318 62.300 0.274 0.000 0.885 392 V CB 0.750 32.791 31.823 0.364 0.000 0.999 392 V HN 1.541 nan 8.190 nan 0.000 0.424 393 G N 3.466 112.352 108.800 0.144 0.000 2.255 393 G HA2 -0.103 3.856 3.960 -0.001 0.000 0.196 393 G HA3 -0.103 3.856 3.960 -0.001 0.000 0.196 393 G C -0.175 174.772 174.900 0.078 0.000 0.998 393 G CA 0.176 45.348 45.100 0.119 0.000 0.656 393 G HN 1.112 nan 8.290 nan 0.000 0.490 394 I N -1.837 118.779 120.570 0.077 0.000 3.264 394 I HA 0.846 5.016 4.170 -0.001 0.000 0.315 394 I C -1.002 175.150 176.117 0.058 0.000 1.154 394 I CA -2.162 59.177 61.300 0.065 0.000 0.962 394 I CB 1.632 39.670 38.000 0.063 0.000 1.265 394 I HN 0.071 nan 8.210 nan 0.000 0.463 395 E N 1.934 122.168 120.200 0.056 0.000 2.063 395 E HA 0.193 4.542 4.350 -0.001 0.000 0.265 395 E C -1.285 175.345 176.600 0.050 0.000 0.919 395 E CA -0.355 56.071 56.400 0.043 0.000 0.756 395 E CB 0.725 30.444 29.700 0.031 0.000 1.120 395 E HN 0.577 nan 8.360 nan 0.000 0.414 396 D N 4.415 124.843 120.400 0.047 0.000 2.522 396 D HA -0.016 4.623 4.640 -0.001 0.000 0.218 396 D C 0.287 176.607 176.300 0.033 0.000 1.149 396 D CA -0.353 53.674 54.000 0.046 0.000 0.981 396 D CB 0.479 41.308 40.800 0.048 0.000 1.041 396 D HN 0.456 nan 8.370 nan 0.000 0.518 397 D N 1.715 122.132 120.400 0.028 0.000 2.340 397 D HA -0.121 4.518 4.640 -0.001 0.000 0.220 397 D C 1.593 177.901 176.300 0.014 0.000 1.039 397 D CA 0.108 54.117 54.000 0.016 0.000 0.866 397 D CB 0.031 40.835 40.800 0.007 0.000 0.913 397 D HN 0.304 nan 8.370 nan 0.000 0.523 398 V N -0.161 119.766 119.914 0.021 0.000 2.795 398 V HA 0.078 4.197 4.120 -0.001 0.000 0.243 398 V C 1.739 177.842 176.094 0.015 0.000 1.069 398 V CA 1.759 64.069 62.300 0.016 0.000 1.089 398 V CB -0.159 31.676 31.823 0.021 0.000 0.756 398 V HN 0.272 nan 8.190 nan 0.000 0.471 399 T N -2.989 111.576 114.554 0.019 0.000 3.010 399 T HA 0.401 4.751 4.350 -0.001 0.000 0.257 399 T C 1.595 176.308 174.700 0.022 0.000 1.020 399 T CA 0.636 62.746 62.100 0.016 0.000 0.938 399 T CB 0.294 69.170 68.868 0.013 0.000 1.049 399 T HN 1.629 nan 8.240 nan 0.000 0.522 400 G N 2.282 111.097 108.800 0.026 0.000 2.221 400 G HA2 -0.304 3.655 3.960 -0.001 0.000 0.265 400 G HA3 -0.304 3.655 3.960 -0.001 0.000 0.265 400 G C 0.750 175.675 174.900 0.043 0.000 1.041 400 G CA 0.797 45.914 45.100 0.029 0.000 0.807 400 G HN 0.921 nan 8.290 nan 0.000 0.502 401 T N -2.245 112.343 114.554 0.056 0.000 3.081 401 T HA 0.444 4.793 4.350 -0.001 0.000 0.250 401 T C 1.410 176.185 174.700 0.125 0.000 1.100 401 T CA 0.927 63.081 62.100 0.089 0.000 1.038 401 T CB 0.150 69.067 68.868 0.082 0.000 0.962 401 T HN 1.356 nan 8.240 nan 0.000 0.516 402 S N 1.689 117.442 115.700 0.088 0.000 2.584 402 S HA 0.613 5.082 4.470 -0.001 0.000 0.273 402 S C -0.360 174.258 174.600 0.030 0.000 1.311 402 S CA -1.008 57.244 58.200 0.087 0.000 1.034 402 S CB 0.724 63.962 63.200 0.064 0.000 0.939 402 S HN 0.117 nan 8.310 nan 0.000 0.513 403 L N 3.434 124.651 121.223 -0.011 0.000 2.312 403 L HA 0.493 4.832 4.340 -0.001 0.000 0.281 403 L C -1.844 174.980 176.870 -0.077 0.000 1.070 403 L CA -1.978 52.788 54.840 -0.123 0.000 0.805 403 L CB 0.264 42.143 42.059 -0.300 0.000 1.174 403 L HN 0.587 nan 8.230 nan 0.000 0.434 404 P HA 0.167 nan 4.420 nan 0.000 0.271 404 P C -1.103 176.151 177.300 -0.077 0.000 1.218 404 P CA -0.223 62.843 63.100 -0.058 0.000 0.780 404 P CB 1.215 32.884 31.700 -0.051 0.000 0.901 405 V N 2.757 122.635 119.914 -0.061 0.000 2.444 405 V HA 0.191 4.311 4.120 -0.001 0.000 0.294 405 V C -0.072 175.986 176.094 -0.060 0.000 1.022 405 V CA -0.387 61.866 62.300 -0.078 0.000 0.850 405 V CB 1.593 33.375 31.823 -0.070 0.000 0.992 405 V HN 0.531 nan 8.190 nan 0.000 0.426 406 D N 3.765 124.122 120.400 -0.070 0.000 2.428 406 D HA 0.202 4.841 4.640 -0.001 0.000 0.221 406 D C 0.780 177.078 176.300 -0.003 0.000 1.123 406 D CA -0.208 53.773 54.000 -0.031 0.000 0.869 406 D CB 0.780 41.566 40.800 -0.023 0.000 1.032 406 D HN 0.399 nan 8.370 nan 0.000 0.506 407 N N 2.491 121.195 118.700 0.007 0.000 2.571 407 N HA -0.032 4.707 4.740 -0.001 0.000 0.189 407 N C 0.973 176.515 175.510 0.054 0.000 1.154 407 N CA 0.160 53.226 53.050 0.026 0.000 0.907 407 N CB 0.399 38.893 38.487 0.012 0.000 0.977 407 N HN 0.470 nan 8.380 nan 0.000 0.449 408 A N -0.002 122.856 122.820 0.063 0.000 2.251 408 A HA 0.081 4.400 4.320 -0.001 0.000 0.209 408 A C 0.616 178.260 177.584 0.101 0.000 1.187 408 A CA -0.545 51.528 52.037 0.060 0.000 0.823 408 A CB -0.528 18.499 19.000 0.046 0.000 0.846 408 A HN 0.291 nan 8.150 nan 0.000 0.486 409 F N 1.057 120.972 119.950 -0.057 0.000 2.602 409 F HA 0.295 4.821 4.527 -0.001 0.000 0.367 409 F C 0.945 176.697 175.800 -0.081 0.000 1.126 409 F CA -0.297 57.656 58.000 -0.079 0.000 1.321 409 F CB 0.523 39.449 39.000 -0.123 0.000 1.094 409 F HN 0.284 nan 8.300 nan 0.000 0.594 410 A N 5.247 127.666 122.820 -0.668 0.000 2.386 410 A HA 0.062 4.381 4.320 -0.001 0.000 0.248 410 A C -0.123 177.086 177.584 -0.625 0.000 1.082 410 A CA -0.531 51.188 52.037 -0.529 0.000 0.789 410 A CB 0.121 18.891 19.000 -0.384 0.000 1.025 410 A HN 0.827 nan 8.150 nan 0.000 0.490 411 D N 0.552 120.778 120.400 -0.290 0.000 2.455 411 D HA 0.060 4.699 4.640 -0.001 0.000 0.241 411 D C 0.994 177.149 176.300 -0.242 0.000 1.138 411 D CA 1.138 55.029 54.000 -0.182 0.000 0.877 411 D CB 0.739 41.509 40.800 -0.050 0.000 1.187 411 D HN 0.548 nan 8.370 nan 0.000 0.451 412 T N -0.979 113.465 114.554 -0.184 0.000 3.085 412 T HA 0.079 4.429 4.350 -0.001 0.000 0.264 412 T C 0.897 175.622 174.700 0.041 0.000 1.019 412 T CA -0.354 61.664 62.100 -0.138 0.000 0.910 412 T CB -0.153 68.586 68.868 -0.215 0.000 1.059 412 T HN 0.434 nan 8.240 nan 0.000 0.542 413 T N 1.609 116.203 114.554 0.066 0.000 2.932 413 T HA 0.366 4.715 4.350 -0.001 0.000 0.312 413 T C -2.557 172.176 174.700 0.055 0.000 1.071 413 T CA -1.172 60.971 62.100 0.070 0.000 1.128 413 T CB -0.043 68.859 68.868 0.057 0.000 0.984 413 T HN 0.000 nan 8.240 nan 0.000 0.549 414 P HA 0.133 nan 4.420 nan 0.000 0.267 414 P C -0.093 177.231 177.300 0.041 0.000 1.201 414 P CA -0.387 62.733 63.100 0.034 0.000 0.775 414 P CB 0.371 32.075 31.700 0.008 0.000 0.854 415 K N 1.543 121.966 120.400 0.038 0.000 2.472 415 K HA 0.205 4.524 4.320 -0.001 0.000 0.280 415 K C 1.066 177.697 176.600 0.051 0.000 1.028 415 K CA 1.220 57.532 56.287 0.040 0.000 1.045 415 K CB -0.727 31.792 32.500 0.032 0.000 0.902 415 K HN 0.765 nan 8.250 nan 0.000 0.478 416 G N 2.578 111.412 108.800 0.057 0.000 2.132 416 G HA2 -0.217 3.743 3.960 -0.001 0.000 0.234 416 G HA3 -0.217 3.743 3.960 -0.001 0.000 0.234 416 G C -0.067 174.886 174.900 0.088 0.000 0.989 416 G CA 0.189 45.330 45.100 0.069 0.000 0.676 416 G HN 0.620 nan 8.290 nan 0.000 0.522 417 T N 1.177 115.781 114.554 0.083 0.000 2.743 417 T HA 0.588 4.937 4.350 -0.001 0.000 0.293 417 T C 0.348 175.117 174.700 0.114 0.000 0.945 417 T CA -0.093 62.067 62.100 0.099 0.000 1.030 417 T CB 1.436 70.344 68.868 0.066 0.000 0.912 417 T HN 0.231 nan 8.240 nan 0.000 0.483 418 I N 3.774 124.442 120.570 0.163 0.000 2.365 418 I HA 0.242 4.412 4.170 -0.001 0.000 0.291 418 I C 0.490 176.725 176.117 0.197 0.000 1.004 418 I CA -0.042 61.369 61.300 0.185 0.000 1.311 418 I CB 1.062 39.194 38.000 0.219 0.000 1.401 418 I HN 0.515 nan 8.210 nan 0.000 0.491 419 Q N 5.402 125.302 119.800 0.166 0.000 2.330 419 Q HA 0.618 4.957 4.340 -0.001 0.000 0.269 419 Q C -1.440 174.662 176.000 0.171 0.000 1.022 419 Q CA -0.653 55.231 55.803 0.136 0.000 0.796 419 Q CB 2.211 31.002 28.738 0.088 0.000 1.271 419 Q HN 0.625 nan 8.270 nan 0.000 0.450 420 C N 1.738 121.145 119.300 0.179 0.000 2.561 420 C HA 0.585 5.044 4.460 -0.001 0.000 0.319 420 C C -0.343 174.648 174.990 0.001 0.000 1.198 420 C CA -0.796 58.316 59.018 0.156 0.000 1.665 420 C CB 1.565 29.495 27.740 0.316 0.000 2.258 420 C HN 0.788 nan 8.230 nan 0.000 0.493 421 Q N 0.570 120.258 119.800 -0.187 0.000 2.347 421 Q HA 0.675 5.015 4.340 -0.001 0.000 0.271 421 Q C -1.778 174.030 176.000 -0.321 0.000 1.064 421 Q CA -0.239 55.427 55.803 -0.227 0.000 0.800 421 Q CB 2.230 30.873 28.738 -0.158 0.000 1.304 421 Q HN 0.651 nan 8.270 nan 0.000 0.438 422 F N 0.805 120.682 119.950 -0.121 0.000 2.518 422 F HA 0.442 4.968 4.527 -0.001 0.000 0.323 422 F C -1.071 174.640 175.800 -0.148 0.000 1.129 422 F CA -0.719 57.225 58.000 -0.093 0.000 0.920 422 F CB 1.118 40.019 39.000 -0.164 0.000 1.160 422 F HN 0.430 nan 8.300 nan 0.000 0.440 423 W N 2.523 123.816 121.300 -0.011 0.000 2.291 423 W HA 0.671 5.330 4.660 -0.001 0.000 0.312 423 W C 0.308 176.911 176.519 0.140 0.000 1.061 423 W CA -0.881 56.520 57.345 0.094 0.000 1.296 423 W CB 1.585 31.175 29.460 0.216 0.000 1.223 423 W HN 0.651 nan 8.180 nan 0.000 0.421 424 G N 2.050 111.043 108.800 0.321 0.000 2.714 424 G HA2 0.684 4.643 3.960 -0.001 0.000 0.292 424 G HA3 0.684 4.643 3.960 -0.001 0.000 0.292 424 G C -2.106 173.016 174.900 0.370 0.000 1.308 424 G CA -1.068 44.204 45.100 0.286 0.000 0.964 424 G HN 0.322 nan 8.290 nan 0.000 0.484 425 L N 0.941 122.308 121.223 0.240 0.000 2.307 425 L HA 0.708 5.047 4.340 -0.001 0.000 0.284 425 L C 0.888 177.860 176.870 0.171 0.000 1.023 425 L CA -0.337 54.643 54.840 0.233 0.000 0.810 425 L CB 1.149 43.278 42.059 0.116 0.000 1.231 425 L HN 0.732 nan 8.230 nan 0.000 0.423 426 G N 4.105 113.008 108.800 0.172 0.000 2.224 426 G HA2 0.378 4.337 3.960 -0.001 0.000 0.239 426 G HA3 0.378 4.337 3.960 -0.001 0.000 0.239 426 G C 0.777 175.738 174.900 0.102 0.000 1.240 426 G CA 0.377 45.557 45.100 0.134 0.000 0.896 426 G HN 1.951 nan 8.290 nan 0.000 0.496 427 A N 1.793 124.662 122.820 0.082 0.000 3.250 427 A HA -0.176 4.143 4.320 -0.001 0.000 0.256 427 A C 1.475 179.094 177.584 0.059 0.000 1.231 427 A CA 1.556 53.629 52.037 0.060 0.000 1.193 427 A CB -1.812 17.221 19.000 0.054 0.000 1.149 427 A HN 1.216 nan 8.150 nan 0.000 0.930 428 D N -0.926 119.519 120.400 0.075 0.000 2.349 428 D HA 0.380 5.020 4.640 -0.001 0.000 0.214 428 D C 1.442 177.790 176.300 0.080 0.000 1.063 428 D CA 1.052 55.098 54.000 0.077 0.000 0.847 428 D CB -0.532 40.326 40.800 0.097 0.000 0.933 428 D HN 1.873 nan 8.370 nan 0.000 0.513 429 G N -0.244 108.597 108.800 0.067 0.000 2.159 429 G HA2 -0.361 3.598 3.960 -0.001 0.000 0.256 429 G HA3 -0.361 3.598 3.960 -0.001 0.000 0.256 429 G C 1.122 176.058 174.900 0.060 0.000 0.977 429 G CA 0.771 45.902 45.100 0.052 0.000 0.652 429 G HN 0.369 nan 8.290 nan 0.000 0.531 430 T N 0.416 115.030 114.554 0.100 0.000 2.674 430 T HA -0.106 4.244 4.350 -0.001 0.000 0.265 430 T C 2.578 177.254 174.700 -0.041 0.000 1.039 430 T CA 1.891 64.056 62.100 0.107 0.000 1.150 430 T CB -0.273 68.690 68.868 0.158 0.000 0.864 430 T HN 0.331 nan 8.240 nan 0.000 0.427 431 V N 1.572 121.436 119.914 -0.084 0.000 2.255 431 V HA -0.168 3.952 4.120 -0.001 0.000 0.247 431 V C 2.897 178.859 176.094 -0.219 0.000 1.051 431 V CA 2.103 64.258 62.300 -0.241 0.000 1.018 431 V CB -1.518 30.078 31.823 -0.378 0.000 0.641 431 V HN 0.621 nan 8.190 nan 0.000 0.445 432 G N -0.386 108.333 108.800 -0.134 0.000 2.476 432 G HA2 -0.277 3.682 3.960 -0.001 0.000 0.218 432 G HA3 -0.277 3.682 3.960 -0.001 0.000 0.218 432 G C 1.767 176.637 174.900 -0.051 0.000 1.164 432 G CA 1.270 46.315 45.100 -0.092 0.000 0.768 432 G HN 0.653 nan 8.290 nan 0.000 0.560 433 A N 1.084 123.889 122.820 -0.026 0.000 1.933 433 A HA -0.102 4.218 4.320 -0.001 0.000 0.218 433 A C 2.301 179.860 177.584 -0.042 0.000 1.175 433 A CA 1.927 53.971 52.037 0.011 0.000 0.628 433 A CB -0.403 18.627 19.000 0.051 0.000 0.814 433 A HN 0.378 nan 8.150 nan 0.000 0.444 434 N N 0.129 118.742 118.700 -0.144 0.000 2.106 434 N HA -0.121 4.618 4.740 -0.001 0.000 0.188 434 N C 1.606 177.119 175.510 0.005 0.000 1.029 434 N CA 1.520 54.444 53.050 -0.210 0.000 0.848 434 N CB -0.379 37.987 38.487 -0.202 0.000 1.007 434 N HN 0.553 nan 8.380 nan 0.000 0.423 435 K N 0.686 121.120 120.400 0.056 0.000 2.097 435 K HA -0.073 4.246 4.320 -0.001 0.000 0.206 435 K C 1.999 178.646 176.600 0.079 0.000 1.049 435 K CA 0.858 57.201 56.287 0.094 0.000 0.933 435 K CB 0.034 32.537 32.500 0.005 0.000 0.717 435 K HN 0.137 nan 8.250 nan 0.000 0.442 436 Q N 0.039 119.874 119.800 0.058 0.000 2.119 436 Q HA -0.055 4.284 4.340 -0.001 0.000 0.201 436 Q C 2.083 178.183 176.000 0.167 0.000 0.972 436 Q CA 1.441 57.296 55.803 0.087 0.000 0.847 436 Q CB -0.094 28.687 28.738 0.072 0.000 0.903 436 Q HN 0.322 nan 8.270 nan 0.000 0.433 437 A N 0.700 123.629 122.820 0.183 0.000 2.015 437 A HA -0.116 4.203 4.320 -0.001 0.000 0.219 437 A C 1.948 179.687 177.584 0.259 0.000 1.163 437 A CA 0.810 53.006 52.037 0.264 0.000 0.646 437 A CB -0.366 18.636 19.000 0.004 0.000 0.806 437 A HN 0.281 nan 8.150 nan 0.000 0.448 438 I N -0.629 120.085 120.570 0.240 0.000 2.252 438 I HA -0.159 4.010 4.170 -0.001 0.000 0.245 438 I C 2.225 178.481 176.117 0.231 0.000 1.102 438 I CA 1.438 62.921 61.300 0.305 0.000 1.385 438 I CB -1.127 36.990 38.000 0.195 0.000 1.064 438 I HN 0.168 nan 8.210 nan 0.000 0.414 439 K N 1.258 121.755 120.400 0.161 0.000 1.984 439 K HA -0.061 4.258 4.320 -0.001 0.000 0.209 439 K C 2.049 178.719 176.600 0.115 0.000 1.046 439 K CA 1.085 57.440 56.287 0.112 0.000 0.934 439 K CB -0.530 32.015 32.500 0.076 0.000 0.717 439 K HN 0.060 nan 8.250 nan 0.000 0.438 440 I N 1.157 121.814 120.570 0.145 0.000 2.091 440 I HA -0.338 3.831 4.170 -0.001 0.000 0.240 440 I C 2.262 178.455 176.117 0.127 0.000 1.046 440 I CA 1.836 63.223 61.300 0.145 0.000 1.306 440 I CB -1.110 37.047 38.000 0.261 0.000 1.018 440 I HN 0.149 nan 8.210 nan 0.000 0.404 441 I N 0.663 121.321 120.570 0.146 0.000 2.226 441 I HA -0.191 3.978 4.170 -0.001 0.000 0.245 441 I C 2.717 178.879 176.117 0.075 0.000 1.100 441 I CA 1.546 62.882 61.300 0.059 0.000 1.374 441 I CB -0.866 37.074 38.000 -0.101 0.000 1.057 441 I HN 0.274 nan 8.210 nan 0.000 0.413 442 G N 0.427 109.303 108.800 0.125 0.000 2.402 442 G HA2 -0.210 3.750 3.960 -0.001 0.000 0.216 442 G HA3 -0.210 3.750 3.960 -0.001 0.000 0.216 442 G C 1.160 176.075 174.900 0.025 0.000 1.162 442 G CA 0.777 45.928 45.100 0.086 0.000 0.777 442 G HN 0.290 nan 8.290 nan 0.000 0.539 443 D N 0.332 120.749 120.400 0.029 0.000 2.317 443 D HA 0.006 4.645 4.640 -0.001 0.000 0.211 443 D C 1.344 177.640 176.300 -0.007 0.000 0.966 443 D CA 0.470 54.472 54.000 0.003 0.000 0.876 443 D CB 0.081 40.885 40.800 0.007 0.000 0.927 443 D HN 0.251 nan 8.370 nan 0.000 0.519 444 N N -0.108 118.592 118.700 0.001 0.000 2.238 444 N HA 0.041 4.780 4.740 -0.001 0.000 0.235 444 N C 0.006 175.505 175.510 -0.018 0.000 1.209 444 N CA 0.175 53.218 53.050 -0.010 0.000 0.879 444 N CB 1.652 40.135 38.487 -0.006 0.000 1.136 444 N HN 0.193 nan 8.380 nan 0.000 0.517 445 T N -3.307 111.233 114.554 -0.023 0.000 2.787 445 T HA 0.324 4.673 4.350 -0.001 0.000 0.297 445 T C -0.545 174.121 174.700 -0.056 0.000 1.221 445 T CA -0.558 61.524 62.100 -0.031 0.000 1.006 445 T CB 1.929 70.783 68.868 -0.023 0.000 1.328 445 T HN -0.325 nan 8.240 nan 0.000 0.509 446 D N 0.388 120.750 120.400 -0.063 0.000 2.340 446 D HA 0.282 4.922 4.640 -0.001 0.000 0.217 446 D C 0.468 176.663 176.300 -0.175 0.000 1.081 446 D CA 0.012 53.937 54.000 -0.124 0.000 0.842 446 D CB -0.090 40.660 40.800 -0.082 0.000 0.934 446 D HN 0.436 nan 8.370 nan 0.000 0.511 447 L N 0.554 121.738 121.223 -0.065 0.000 2.426 447 L HA 0.169 4.508 4.340 -0.001 0.000 0.271 447 L C 0.297 177.168 176.870 0.002 0.000 1.169 447 L CA -0.314 54.553 54.840 0.045 0.000 0.836 447 L CB 0.322 42.467 42.059 0.143 0.000 1.112 447 L HN -0.196 nan 8.230 nan 0.000 0.465 448 F N 1.350 121.372 119.950 0.119 0.000 2.375 448 F HA 0.547 5.073 4.527 -0.001 0.000 0.333 448 F C 0.606 176.480 175.800 0.122 0.000 1.104 448 F CA -0.266 57.788 58.000 0.091 0.000 1.149 448 F CB 1.195 40.225 39.000 0.051 0.000 1.190 448 F HN 0.439 nan 8.300 nan 0.000 0.533 449 A N 2.866 125.830 122.820 0.240 0.000 2.401 449 A HA 0.700 5.019 4.320 -0.001 0.000 0.310 449 A C -1.209 176.334 177.584 -0.069 0.000 1.075 449 A CA -0.614 51.451 52.037 0.048 0.000 0.746 449 A CB 1.848 20.977 19.000 0.215 0.000 1.277 449 A HN 0.718 nan 8.150 nan 0.000 0.425 450 Q N 1.092 120.726 119.800 -0.275 0.000 2.315 450 Q HA 0.598 4.937 4.340 -0.001 0.000 0.273 450 Q C -0.911 174.943 176.000 -0.243 0.000 1.053 450 Q CA -0.585 55.112 55.803 -0.177 0.000 0.817 450 Q CB 2.300 30.953 28.738 -0.141 0.000 1.326 450 Q HN 1.172 nan 8.270 nan 0.000 0.423 451 G N 2.058 110.772 108.800 -0.142 0.000 2.682 451 G HA2 0.562 4.522 3.960 -0.001 0.000 0.300 451 G HA3 0.562 4.522 3.960 -0.001 0.000 0.300 451 G C -2.457 172.308 174.900 -0.225 0.000 1.391 451 G CA -0.285 44.659 45.100 -0.261 0.000 0.990 451 G HN 0.489 nan 8.290 nan 0.000 0.501 452 Y N 1.186 121.113 120.300 -0.622 0.000 2.504 452 Y HA 0.734 5.283 4.550 -0.001 0.000 0.344 452 Y C -1.821 173.697 175.900 -0.636 0.000 1.023 452 Y CA -1.617 56.248 58.100 -0.390 0.000 1.020 452 Y CB 1.876 40.225 38.460 -0.184 0.000 1.282 452 Y HN 0.476 nan 8.280 nan 0.000 0.454 453 F N 2.674 122.272 119.950 -0.587 0.000 2.540 453 F HA 0.622 5.148 4.527 -0.001 0.000 0.317 453 F C -0.043 175.386 175.800 -0.618 0.000 1.104 453 F CA -0.813 56.895 58.000 -0.487 0.000 0.913 453 F CB 2.334 41.051 39.000 -0.471 0.000 1.170 453 F HN 0.299 nan 8.300 nan 0.000 0.450 454 S N 1.949 117.469 115.700 -0.300 0.000 2.451 454 S HA 0.636 5.105 4.470 -0.001 0.000 0.301 454 S C -0.980 173.398 174.600 -0.370 0.000 1.116 454 S CA -0.487 57.586 58.200 -0.210 0.000 1.093 454 S CB 0.772 63.908 63.200 -0.107 0.000 1.017 454 S HN 0.456 nan 8.310 nan 0.000 0.482 455 Y N 0.763 121.044 120.300 -0.030 0.000 3.042 455 Y HA 0.597 5.147 4.550 -0.001 0.000 0.339 455 Y C 0.428 176.318 175.900 -0.015 0.000 1.299 455 Y CA -0.913 57.180 58.100 -0.011 0.000 1.059 455 Y CB 0.565 39.031 38.460 0.010 0.000 1.361 455 Y HN 0.419 nan 8.280 nan 0.000 0.755 456 D N -1.632 118.904 120.400 0.226 0.000 2.527 456 D HA 0.308 4.948 4.640 -0.001 0.000 0.233 456 D C -0.022 176.358 176.300 0.134 0.000 1.063 456 D CA -0.275 53.805 54.000 0.133 0.000 0.880 456 D CB 2.372 43.245 40.800 0.121 0.000 1.457 456 D HN 0.375 nan 8.370 nan 0.000 0.475 457 S N 0.410 116.177 115.700 0.113 0.000 2.489 457 S HA 0.008 4.478 4.470 -0.001 0.000 0.228 457 S C 0.598 175.270 174.600 0.120 0.000 0.995 457 S CA 0.347 58.611 58.200 0.107 0.000 0.934 457 S CB 0.118 63.375 63.200 0.095 0.000 0.771 457 S HN 0.236 nan 8.310 nan 0.000 0.522 458 K N 2.049 122.527 120.400 0.130 0.000 2.350 458 K HA 0.193 4.512 4.320 -0.001 0.000 0.279 458 K C 0.600 177.280 176.600 0.134 0.000 1.027 458 K CA 0.103 56.475 56.287 0.142 0.000 0.969 458 K CB 0.649 33.236 32.500 0.145 0.000 0.954 458 K HN 0.162 nan 8.250 nan 0.000 0.474 459 K N 0.255 120.737 120.400 0.137 0.000 2.314 459 K HA 0.022 4.341 4.320 -0.001 0.000 0.198 459 K C 0.702 177.366 176.600 0.106 0.000 1.045 459 K CA 0.340 56.698 56.287 0.118 0.000 0.988 459 K CB 0.469 33.047 32.500 0.129 0.000 0.783 459 K HN 0.367 nan 8.250 nan 0.000 0.484 460 S N -0.977 114.788 115.700 0.108 0.000 2.526 460 S HA 0.466 4.935 4.470 -0.001 0.000 0.293 460 S C 0.108 174.767 174.600 0.099 0.000 1.092 460 S CA -0.069 58.184 58.200 0.088 0.000 0.980 460 S CB 1.582 64.819 63.200 0.061 0.000 1.048 460 S HN 0.469 nan 8.310 nan 0.000 0.483 461 G N 2.763 111.625 108.800 0.103 0.000 2.258 461 G HA2 -0.174 3.785 3.960 -0.001 0.000 0.274 461 G HA3 -0.174 3.785 3.960 -0.001 0.000 0.274 461 G C 0.526 175.533 174.900 0.178 0.000 1.021 461 G CA 0.235 45.413 45.100 0.130 0.000 0.798 461 G HN 1.141 nan 8.290 nan 0.000 0.507 462 G N -0.625 108.276 108.800 0.169 0.000 2.537 462 G HA2 0.670 4.630 3.960 -0.001 0.000 0.273 462 G HA3 0.670 4.630 3.960 -0.001 0.000 0.273 462 G C 0.456 175.481 174.900 0.209 0.000 1.189 462 G CA -0.370 44.837 45.100 0.179 0.000 0.881 462 G HN 1.409 nan 8.290 nan 0.000 0.535 463 I N -1.375 119.287 120.570 0.154 0.000 2.440 463 I HA 0.679 4.849 4.170 -0.001 0.000 0.294 463 I C -0.413 175.711 176.117 0.013 0.000 0.995 463 I CA -0.407 60.962 61.300 0.114 0.000 1.306 463 I CB 2.030 39.923 38.000 -0.178 0.000 1.407 463 I HN 0.236 nan 8.210 nan 0.000 0.501 464 T N 7.477 122.042 114.554 0.018 0.000 2.841 464 T HA 0.620 4.970 4.350 -0.001 0.000 0.283 464 T C -0.667 173.910 174.700 -0.205 0.000 1.000 464 T CA -0.286 61.743 62.100 -0.118 0.000 0.977 464 T CB 1.560 70.386 68.868 -0.071 0.000 0.979 464 T HN 0.639 nan 8.240 nan 0.000 0.446 465 I N 1.810 122.179 120.570 -0.336 0.000 2.468 465 I HA 0.586 4.756 4.170 -0.001 0.000 0.284 465 I C -0.657 175.286 176.117 -0.289 0.000 1.038 465 I CA -0.182 60.823 61.300 -0.491 0.000 1.083 465 I CB 1.591 39.018 38.000 -0.955 0.000 1.223 465 I HN 0.443 nan 8.210 nan 0.000 0.443 466 S N 5.624 121.212 115.700 -0.187 0.000 2.554 466 S HA 0.519 4.988 4.470 -0.001 0.000 0.278 466 S C -0.825 173.627 174.600 -0.247 0.000 1.242 466 S CA -0.232 57.906 58.200 -0.104 0.000 1.051 466 S CB 0.417 63.652 63.200 0.058 0.000 0.986 466 S HN 0.669 nan 8.310 nan 0.000 0.502 467 H N 1.516 120.456 119.070 -0.216 0.000 2.762 467 H HA 0.501 5.056 4.556 -0.001 0.000 0.310 467 H C -0.711 174.507 175.328 -0.183 0.000 1.004 467 H CA -0.345 55.631 56.048 -0.120 0.000 1.267 467 H CB 0.441 30.145 29.762 -0.097 0.000 1.437 467 H HN 0.325 nan 8.280 nan 0.000 0.498 468 L N 3.239 124.465 121.223 0.004 0.000 2.346 468 L HA 0.662 5.001 4.340 -0.001 0.000 0.274 468 L C -0.035 176.730 176.870 -0.174 0.000 1.007 468 L CA -0.843 53.917 54.840 -0.133 0.000 0.818 468 L CB 2.059 44.098 42.059 -0.033 0.000 1.284 468 L HN 0.472 nan 8.230 nan 0.000 0.424 469 R N 2.332 122.569 120.500 -0.438 0.000 2.673 469 R HA 0.685 5.024 4.340 -0.001 0.000 0.281 469 R C -1.754 174.180 176.300 -0.610 0.000 0.991 469 R CA -0.674 55.232 56.100 -0.323 0.000 0.896 469 R CB 2.597 32.790 30.300 -0.179 0.000 1.201 469 R HN 0.340 nan 8.270 nan 0.000 0.457 470 F N -0.070 119.939 119.950 0.099 0.000 2.569 470 F HA 0.714 5.240 4.527 -0.001 0.000 0.312 470 F C 0.528 176.394 175.800 0.110 0.000 1.109 470 F CA -0.638 57.430 58.000 0.113 0.000 0.919 470 F CB 2.871 41.937 39.000 0.110 0.000 1.211 470 F HN 0.650 nan 8.300 nan 0.000 0.446 471 G N 1.524 110.517 108.800 0.322 0.000 2.623 471 G HA2 0.382 4.341 3.960 -0.001 0.000 0.290 471 G HA3 0.382 4.341 3.960 -0.001 0.000 0.290 471 G C -0.549 174.540 174.900 0.315 0.000 1.437 471 G CA -0.661 44.586 45.100 0.244 0.000 0.798 471 G HN 0.595 nan 8.290 nan 0.000 0.488 472 E N -0.590 119.752 120.200 0.237 0.000 2.299 472 E HA 0.045 4.394 4.350 -0.001 0.000 0.193 472 E C 0.417 177.226 176.600 0.350 0.000 0.998 472 E CA 0.610 57.171 56.400 0.268 0.000 0.851 472 E CB 0.203 29.996 29.700 0.156 0.000 0.795 472 E HN 0.110 nan 8.360 nan 0.000 0.492 473 K N 0.945 121.432 120.400 0.146 0.000 2.156 473 K HA 0.374 4.693 4.320 -0.001 0.000 0.250 473 K C -2.637 173.603 176.600 -0.600 0.000 0.955 473 K CA -2.829 53.385 56.287 -0.122 0.000 0.855 473 K CB 0.542 32.996 32.500 -0.076 0.000 1.101 473 K HN -0.239 nan 8.250 nan 0.000 0.434 474 P HA -0.010 nan 4.420 nan 0.000 0.263 474 P C -0.323 176.700 177.300 -0.462 0.000 1.175 474 P CA 0.180 62.596 63.100 -1.139 0.000 0.761 474 P CB 0.289 31.593 31.700 -0.660 0.000 0.794 475 I N 4.029 124.424 120.570 -0.293 0.000 2.291 475 I HA 0.106 4.275 4.170 -0.001 0.000 0.292 475 I C 1.222 177.284 176.117 -0.091 0.000 1.064 475 I CA 0.368 61.588 61.300 -0.133 0.000 1.269 475 I CB 0.380 38.332 38.000 -0.080 0.000 1.418 475 I HN 0.430 nan 8.210 nan 0.000 0.485 476 Q N 2.805 122.568 119.800 -0.060 0.000 2.198 476 Q HA 0.147 4.486 4.340 -0.001 0.000 0.209 476 Q C 0.240 176.251 176.000 0.019 0.000 0.848 476 Q CA -0.054 55.747 55.803 -0.004 0.000 0.974 476 Q CB 0.523 29.276 28.738 0.025 0.000 1.115 476 Q HN 0.538 nan 8.270 nan 0.000 0.494 477 S N 2.214 117.863 115.700 -0.086 0.000 3.900 477 S HA 0.020 4.489 4.470 -0.001 0.000 0.248 477 S C 0.606 174.969 174.600 -0.394 0.000 1.310 477 S CA -0.122 57.892 58.200 -0.309 0.000 0.915 477 S CB -0.287 62.539 63.200 -0.622 0.000 1.588 477 S HN 0.261 nan 8.310 nan 0.000 0.472 478 T N 1.253 115.778 114.554 -0.048 0.000 4.058 478 T HA 0.424 4.774 4.350 -0.001 0.000 0.252 478 T C -0.292 174.439 174.700 0.051 0.000 1.264 478 T CA -0.608 61.477 62.100 -0.025 0.000 1.094 478 T CB -1.195 67.731 68.868 0.097 0.000 1.316 478 T HN 0.586 nan 8.240 nan 0.000 0.872 479 Y N -1.447 118.764 120.300 -0.149 0.000 2.641 479 Y HA 0.622 5.171 4.550 -0.001 0.000 0.333 479 Y C -1.000 174.755 175.900 -0.242 0.000 1.174 479 Y CA -2.152 55.839 58.100 -0.182 0.000 1.057 479 Y CB 0.632 39.032 38.460 -0.101 0.000 1.322 479 Y HN 0.073 nan 8.280 nan 0.000 0.457 480 L N 1.855 122.966 121.223 -0.186 0.000 2.476 480 L HA 0.343 4.682 4.340 -0.001 0.000 0.264 480 L C 0.011 176.860 176.870 -0.035 0.000 1.224 480 L CA -1.085 53.542 54.840 -0.354 0.000 0.821 480 L CB 0.280 42.056 42.059 -0.472 0.000 1.101 480 L HN 0.529 nan 8.230 nan 0.000 0.488 481 V N 1.511 121.526 119.914 0.168 0.000 2.555 481 V HA -0.002 4.118 4.120 -0.001 0.000 0.286 481 V C 0.556 176.778 176.094 0.213 0.000 1.044 481 V CA 0.128 62.547 62.300 0.198 0.000 1.026 481 V CB 0.978 32.929 31.823 0.215 0.000 0.981 481 V HN 0.983 nan 8.190 nan 0.000 0.480 482 N N 3.259 122.063 118.700 0.174 0.000 2.210 482 N HA 0.134 4.873 4.740 -0.001 0.000 0.203 482 N C 0.374 175.942 175.510 0.097 0.000 1.175 482 N CA -0.227 52.904 53.050 0.134 0.000 0.894 482 N CB 0.480 39.038 38.487 0.118 0.000 1.041 482 N HN 0.561 nan 8.380 nan 0.000 0.506 483 R N 0.701 121.258 120.500 0.094 0.000 2.547 483 R HA 0.581 4.920 4.340 -0.001 0.000 0.280 483 R C -1.092 175.253 176.300 0.075 0.000 1.630 483 R CA -0.461 55.681 56.100 0.069 0.000 1.470 483 R CB 1.477 31.810 30.300 0.054 0.000 1.178 483 R HN 0.181 nan 8.270 nan 0.000 0.591 484 A N 0.956 123.819 122.820 0.072 0.000 2.322 484 A HA 0.195 4.514 4.320 -0.001 0.000 0.269 484 A C 0.280 177.921 177.584 0.096 0.000 1.094 484 A CA -0.394 51.692 52.037 0.082 0.000 0.807 484 A CB 0.458 19.494 19.000 0.060 0.000 1.047 484 A HN 0.569 nan 8.150 nan 0.000 0.487 485 D N -1.174 119.307 120.400 0.134 0.000 2.338 485 D HA 0.079 4.718 4.640 -0.001 0.000 0.208 485 D C -0.753 175.681 176.300 0.224 0.000 0.997 485 D CA 1.397 55.492 54.000 0.158 0.000 0.880 485 D CB 0.327 41.224 40.800 0.161 0.000 0.980 485 D HN 0.536 nan 8.370 nan 0.000 0.509 486 Y N 1.056 121.394 120.300 0.062 0.000 2.354 486 Y HA 0.408 4.957 4.550 -0.001 0.000 0.330 486 Y C -1.498 174.393 175.900 -0.016 0.000 1.011 486 Y CA -0.724 57.404 58.100 0.047 0.000 1.099 486 Y CB 1.500 39.989 38.460 0.049 0.000 1.179 486 Y HN -0.399 nan 8.280 nan 0.000 0.442 487 V N 5.456 125.115 119.914 -0.425 0.000 2.588 487 V HA 0.904 5.023 4.120 -0.001 0.000 0.304 487 V C -0.723 175.178 176.094 -0.323 0.000 1.042 487 V CA -0.460 61.675 62.300 -0.275 0.000 0.877 487 V CB 1.546 33.345 31.823 -0.040 0.000 0.996 487 V HN 0.921 nan 8.190 nan 0.000 0.425 488 A N 3.238 125.926 122.820 -0.220 0.000 2.356 488 A HA 0.685 5.004 4.320 -0.001 0.000 0.310 488 A C -0.769 176.979 177.584 0.274 0.000 1.075 488 A CA -0.434 51.615 52.037 0.019 0.000 0.746 488 A CB 1.554 20.622 19.000 0.112 0.000 1.221 488 A HN 0.955 nan 8.150 nan 0.000 0.443 489 C N 3.217 122.735 119.300 0.364 0.000 2.294 489 C HA 0.511 4.971 4.460 -0.001 0.000 0.319 489 C C 0.866 176.076 174.990 0.366 0.000 1.164 489 C CA -0.380 58.858 59.018 0.367 0.000 1.497 489 C CB -1.509 26.442 27.740 0.352 0.000 2.061 489 C HN 1.005 nan 8.230 nan 0.000 0.438 490 H N 2.800 121.987 119.070 0.195 0.000 2.547 490 H HA 0.062 4.617 4.556 -0.001 0.000 0.266 490 H C 0.603 175.897 175.328 -0.057 0.000 0.988 490 H CA 0.305 56.404 56.048 0.084 0.000 1.147 490 H CB 0.273 30.120 29.762 0.141 0.000 1.365 490 H HN 0.693 nan 8.280 nan 0.000 0.589 491 N N 0.954 119.622 118.700 -0.053 0.000 2.540 491 N HA 0.058 4.797 4.740 -0.001 0.000 0.275 491 N C -1.961 173.409 175.510 -0.233 0.000 1.053 491 N CA -2.075 50.792 53.050 -0.305 0.000 0.876 491 N CB 1.606 39.601 38.487 -0.819 0.000 1.284 491 N HN -0.145 nan 8.380 nan 0.000 0.518 492 P HA -0.246 nan 4.420 nan 0.000 0.217 492 P C 1.100 178.458 177.300 0.097 0.000 1.151 492 P CA 1.251 64.255 63.100 -0.161 0.000 0.849 492 P CB 0.234 31.639 31.700 -0.491 0.000 0.787 493 A N -0.393 122.460 122.820 0.055 0.000 1.948 493 A HA -0.219 4.100 4.320 -0.001 0.000 0.220 493 A C 2.372 180.117 177.584 0.269 0.000 1.177 493 A CA 1.451 53.587 52.037 0.166 0.000 0.636 493 A CB -1.987 17.090 19.000 0.129 0.000 0.815 493 A HN 0.258 nan 8.150 nan 0.000 0.449 494 Y N -1.388 119.005 120.300 0.155 0.000 2.256 494 Y HA -0.193 4.356 4.550 -0.001 0.000 0.288 494 Y C 2.598 178.524 175.900 0.042 0.000 1.155 494 Y CA 0.372 58.569 58.100 0.162 0.000 1.203 494 Y CB -0.372 38.274 38.460 0.310 0.000 0.980 494 Y HN 0.212 nan 8.280 nan 0.000 0.530 495 V N 0.318 120.381 119.914 0.249 0.000 2.311 495 V HA -0.317 3.802 4.120 -0.001 0.000 0.256 495 V C 1.810 177.936 176.094 0.053 0.000 1.077 495 V CA 2.376 64.776 62.300 0.167 0.000 1.067 495 V CB -0.796 31.222 31.823 0.326 0.000 0.659 495 V HN 0.500 nan 8.190 nan 0.000 0.451 496 G N -1.607 107.223 108.800 0.050 0.000 3.820 496 G HA2 0.411 4.370 3.960 -0.001 0.000 0.293 496 G HA3 0.411 4.370 3.960 -0.001 0.000 0.293 496 G C 0.672 175.518 174.900 -0.089 0.000 1.152 496 G CA 0.456 45.537 45.100 -0.032 0.000 0.921 496 G HN 0.750 nan 8.290 nan 0.000 0.544 497 I N -5.369 115.103 120.570 -0.162 0.000 5.080 497 I HA 0.496 4.665 4.170 -0.001 0.000 0.356 497 I C -0.827 175.031 176.117 -0.431 0.000 1.231 497 I CA -0.510 60.592 61.300 -0.332 0.000 1.458 497 I CB 0.663 38.373 38.000 -0.483 0.000 1.672 497 I HN -0.057 nan 8.210 nan 0.000 0.568 498 Y N 1.631 121.873 120.300 -0.097 0.000 2.499 498 Y HA 0.453 5.002 4.550 -0.001 0.000 0.347 498 Y C -0.442 175.290 175.900 -0.280 0.000 0.987 498 Y CA -1.048 56.951 58.100 -0.168 0.000 1.044 498 Y CB 1.422 39.724 38.460 -0.264 0.000 1.245 498 Y HN -0.104 nan 8.280 nan 0.000 0.461 499 D N 2.925 123.312 120.400 -0.021 0.000 2.600 499 D HA 0.063 4.703 4.640 -0.001 0.000 0.226 499 D C 1.088 177.227 176.300 -0.267 0.000 1.119 499 D CA 0.349 54.281 54.000 -0.114 0.000 1.051 499 D CB -0.001 40.791 40.800 -0.014 0.000 1.106 499 D HN 0.430 nan 8.370 nan 0.000 0.491 500 I N 1.377 121.630 120.570 -0.528 0.000 2.194 500 I HA -0.274 3.895 4.170 -0.001 0.000 0.246 500 I C 1.716 177.546 176.117 -0.478 0.000 1.093 500 I CA 0.784 61.608 61.300 -0.794 0.000 1.355 500 I CB -0.498 37.044 38.000 -0.763 0.000 1.046 500 I HN 0.353 nan 8.210 nan 0.000 0.413 501 L N 0.564 121.524 121.223 -0.438 0.000 2.591 501 L HA 0.133 4.472 4.340 -0.001 0.000 0.228 501 L C 1.153 177.924 176.870 -0.165 0.000 1.133 501 L CA -0.023 54.603 54.840 -0.357 0.000 0.880 501 L CB -1.268 40.526 42.059 -0.442 0.000 1.033 501 L HN 0.270 nan 8.230 nan 0.000 0.450 502 E N 0.478 120.620 120.200 -0.097 0.000 2.820 502 E HA 0.055 4.405 4.350 -0.001 0.000 0.251 502 E C 1.402 178.004 176.600 0.003 0.000 0.944 502 E CA 0.836 57.222 56.400 -0.024 0.000 0.955 502 E CB 0.077 29.798 29.700 0.035 0.000 0.904 502 E HN 0.456 nan 8.360 nan 0.000 0.513 503 G N 3.905 112.704 108.800 -0.002 0.000 2.189 503 G HA2 -0.352 3.607 3.960 -0.001 0.000 0.267 503 G HA3 -0.352 3.607 3.960 -0.001 0.000 0.267 503 G C 0.362 175.271 174.900 0.014 0.000 0.975 503 G CA 0.247 45.356 45.100 0.015 0.000 0.644 503 G HN 0.684 nan 8.290 nan 0.000 0.537 504 I N 1.621 122.185 120.570 -0.009 0.000 2.826 504 I HA 0.281 4.450 4.170 -0.001 0.000 0.295 504 I C 0.926 177.054 176.117 0.018 0.000 1.213 504 I CA -0.035 61.264 61.300 -0.001 0.000 1.436 504 I CB 0.285 38.256 38.000 -0.049 0.000 1.348 504 I HN 0.243 nan 8.210 nan 0.000 0.570 505 K N 5.648 126.074 120.400 0.043 0.000 2.258 505 K HA 0.111 4.430 4.320 -0.001 0.000 0.264 505 K C -0.412 176.223 176.600 0.059 0.000 1.007 505 K CA -0.542 55.774 56.287 0.050 0.000 0.941 505 K CB 0.215 32.752 32.500 0.062 0.000 0.966 505 K HN 0.547 nan 8.250 nan 0.000 0.480 506 D N 0.420 120.853 120.400 0.055 0.000 2.455 506 D HA 0.085 4.725 4.640 -0.001 0.000 0.241 506 D C 1.221 177.572 176.300 0.085 0.000 1.138 506 D CA 1.185 55.224 54.000 0.065 0.000 0.877 506 D CB 0.732 41.565 40.800 0.055 0.000 1.187 506 D HN 0.748 nan 8.370 nan 0.000 0.451 507 G N 1.416 110.280 108.800 0.108 0.000 2.189 507 G HA2 -0.212 3.748 3.960 -0.001 0.000 0.267 507 G HA3 -0.212 3.748 3.960 -0.001 0.000 0.267 507 G C 0.823 175.813 174.900 0.150 0.000 0.975 507 G CA 0.292 45.469 45.100 0.128 0.000 0.644 507 G HN 0.830 nan 8.290 nan 0.000 0.537 508 G N -0.441 108.443 108.800 0.140 0.000 2.699 508 G HA2 0.577 4.536 3.960 -0.001 0.000 0.246 508 G HA3 0.577 4.536 3.960 -0.001 0.000 0.246 508 G C 0.439 175.468 174.900 0.216 0.000 1.219 508 G CA 1.041 46.236 45.100 0.159 0.000 0.866 508 G HN 1.516 nan 8.290 nan 0.000 0.572 509 T N -2.216 112.484 114.554 0.243 0.000 2.829 509 T HA 0.586 4.935 4.350 -0.001 0.000 0.280 509 T C -1.132 173.718 174.700 0.249 0.000 0.999 509 T CA -0.769 61.517 62.100 0.309 0.000 0.983 509 T CB 1.515 70.583 68.868 0.332 0.000 0.968 509 T HN 0.613 nan 8.240 nan 0.000 0.446 510 F N 4.785 124.829 119.950 0.157 0.000 2.496 510 F HA 0.648 5.174 4.527 -0.001 0.000 0.341 510 F C -1.065 174.881 175.800 0.242 0.000 1.134 510 F CA -1.662 56.377 58.000 0.065 0.000 0.968 510 F CB 1.307 40.340 39.000 0.056 0.000 1.205 510 F HN 0.662 nan 8.300 nan 0.000 0.436 511 V N 8.261 128.027 119.914 -0.247 0.000 2.472 511 V HA 0.770 4.889 4.120 -0.001 0.000 0.290 511 V C -1.795 174.052 176.094 -0.412 0.000 1.037 511 V CA -0.535 61.610 62.300 -0.257 0.000 0.908 511 V CB 1.500 33.282 31.823 -0.069 0.000 0.985 511 V HN 0.842 nan 8.190 nan 0.000 0.454 512 L N 5.783 126.792 121.223 -0.356 0.000 2.381 512 L HA 0.566 4.905 4.340 -0.001 0.000 0.268 512 L C -0.507 176.269 176.870 -0.157 0.000 0.997 512 L CA -0.242 54.465 54.840 -0.223 0.000 0.818 512 L CB 2.003 43.967 42.059 -0.158 0.000 1.310 512 L HN 0.846 nan 8.230 nan 0.000 0.416 513 N N 2.974 121.603 118.700 -0.119 0.000 2.422 513 N HA 0.665 5.405 4.740 -0.001 0.000 0.266 513 N C -1.170 174.140 175.510 -0.333 0.000 1.007 513 N CA 0.193 53.138 53.050 -0.176 0.000 0.941 513 N CB 0.755 39.171 38.487 -0.118 0.000 1.115 513 N HN 0.855 nan 8.380 nan 0.000 0.492 514 S N 2.885 118.328 115.700 -0.428 0.000 2.627 514 S HA 0.347 4.816 4.470 -0.001 0.000 0.268 514 S C -2.892 171.360 174.600 -0.581 0.000 1.130 514 S CA -0.762 56.978 58.200 -0.768 0.000 0.819 514 S CB 1.972 64.306 63.200 -1.442 0.000 1.100 514 S HN 0.452 nan 8.310 nan 0.000 0.465 515 P HA 0.301 nan 4.420 nan 0.000 0.268 515 P C -0.311 176.933 177.300 -0.094 0.000 1.329 515 P CA 0.042 62.970 63.100 -0.287 0.000 0.899 515 P CB -0.148 31.435 31.700 -0.195 0.000 1.378 516 W N 1.375 122.604 121.300 -0.117 0.000 1.992 516 W HA 0.234 4.893 4.660 -0.001 0.000 0.449 516 W C 0.978 177.490 176.519 -0.012 0.000 0.617 516 W CA -0.607 56.683 57.345 -0.092 0.000 2.341 516 W CB -1.545 27.846 29.460 -0.115 0.000 1.156 516 W HN 0.015 nan 8.180 nan 0.000 0.538 517 S N 0.562 116.367 115.700 0.176 0.000 2.382 517 S HA -0.131 4.338 4.470 -0.001 0.000 0.228 517 S C 1.308 176.080 174.600 0.287 0.000 1.027 517 S CA 1.173 59.479 58.200 0.178 0.000 0.991 517 S CB -0.180 63.082 63.200 0.102 0.000 0.823 517 S HN 0.372 nan 8.310 nan 0.000 0.469 518 S N 1.669 117.521 115.700 0.254 0.000 2.565 518 S HA 0.356 4.825 4.470 -0.001 0.000 0.274 518 S C 0.789 175.593 174.600 0.340 0.000 1.309 518 S CA -0.755 57.592 58.200 0.246 0.000 1.043 518 S CB 1.109 64.410 63.200 0.169 0.000 0.939 518 S HN 0.130 nan 8.310 nan 0.000 0.504 519 L N 2.295 123.706 121.223 0.315 0.000 2.189 519 L HA -0.142 4.198 4.340 -0.001 0.000 0.214 519 L C 2.423 179.486 176.870 0.321 0.000 1.097 519 L CA 2.368 57.438 54.840 0.383 0.000 0.764 519 L CB -1.000 41.180 42.059 0.201 0.000 0.900 519 L HN 0.996 nan 8.230 nan 0.000 0.436 520 E N -1.886 118.446 120.200 0.220 0.000 2.046 520 E HA -0.200 4.149 4.350 -0.001 0.000 0.190 520 E C 1.553 178.254 176.600 0.169 0.000 0.982 520 E CA 1.279 57.780 56.400 0.168 0.000 0.800 520 E CB -0.613 29.160 29.700 0.121 0.000 0.756 520 E HN 0.458 nan 8.360 nan 0.000 0.449 521 D N 0.665 121.180 120.400 0.192 0.000 2.084 521 D HA -0.160 4.479 4.640 -0.001 0.000 0.194 521 D C 2.012 178.395 176.300 0.138 0.000 0.990 521 D CA 1.432 55.543 54.000 0.185 0.000 0.826 521 D CB -0.296 40.620 40.800 0.194 0.000 0.971 521 D HN 0.177 nan 8.370 nan 0.000 0.453 522 M N 1.455 121.200 119.600 0.241 0.000 2.082 522 M HA -0.182 4.297 4.480 -0.001 0.000 0.258 522 M C 1.215 177.601 176.300 0.143 0.000 1.069 522 M CA 1.606 57.056 55.300 0.250 0.000 1.102 522 M CB -0.433 32.425 32.600 0.431 0.000 1.336 522 M HN -0.203 nan 8.290 nan 0.000 0.404 523 D N -0.451 120.083 120.400 0.223 0.000 2.219 523 D HA -0.141 4.498 4.640 -0.001 0.000 0.205 523 D C 1.957 178.216 176.300 -0.069 0.000 0.970 523 D CA 0.893 54.951 54.000 0.097 0.000 0.851 523 D CB -0.194 40.734 40.800 0.213 0.000 0.943 523 D HN 0.491 nan 8.370 nan 0.000 0.488 524 K N -0.278 120.081 120.400 -0.069 0.000 2.021 524 K HA -0.114 4.206 4.320 -0.001 0.000 0.205 524 K C 1.701 178.048 176.600 -0.421 0.000 1.047 524 K CA 0.976 57.138 56.287 -0.209 0.000 0.943 524 K CB 0.091 32.478 32.500 -0.188 0.000 0.725 524 K HN 0.163 nan 8.250 nan 0.000 0.439 525 H N -0.161 118.552 119.070 -0.595 0.000 2.431 525 H HA 0.060 4.615 4.556 -0.001 0.000 0.295 525 H C -0.059 174.853 175.328 -0.695 0.000 1.038 525 H CA 0.019 55.549 56.048 -0.864 0.000 1.360 525 H CB 0.003 28.598 29.762 -1.947 0.000 1.433 525 H HN 0.039 nan 8.280 nan 0.000 0.536 526 L N 3.382 124.339 121.223 -0.443 0.000 2.477 526 L HA 0.190 4.529 4.340 -0.001 0.000 0.272 526 L C -2.258 174.438 176.870 -0.291 0.000 1.157 526 L CA -2.137 52.546 54.840 -0.262 0.000 0.889 526 L CB 0.342 42.286 42.059 -0.191 0.000 1.158 526 L HN -0.040 nan 8.230 nan 0.000 0.473 527 P HA 0.101 nan 4.420 nan 0.000 0.271 527 P C 0.355 177.481 177.300 -0.291 0.000 1.238 527 P CA 0.109 63.074 63.100 -0.225 0.000 0.794 527 P CB 0.484 32.083 31.700 -0.168 0.000 0.959 528 S N -0.470 115.083 115.700 -0.245 0.000 2.377 528 S HA -0.069 4.400 4.470 -0.001 0.000 0.223 528 S C 2.214 176.674 174.600 -0.232 0.000 1.030 528 S CA 1.113 59.158 58.200 -0.258 0.000 0.970 528 S CB -1.806 61.286 63.200 -0.179 0.000 0.830 528 S HN 0.546 nan 8.310 nan 0.000 0.473 529 G N 2.552 111.243 108.800 -0.183 0.000 2.469 529 G HA2 -0.132 3.827 3.960 -0.001 0.000 0.220 529 G HA3 -0.132 3.827 3.960 -0.001 0.000 0.220 529 G C 1.367 176.153 174.900 -0.191 0.000 1.136 529 G CA 1.121 46.126 45.100 -0.158 0.000 0.759 529 G HN 0.465 nan 8.290 nan 0.000 0.562 530 I N 0.898 121.324 120.570 -0.239 0.000 2.252 530 I HA -0.077 4.092 4.170 -0.001 0.000 0.245 530 I C 2.611 178.544 176.117 -0.306 0.000 1.102 530 I CA 1.150 62.281 61.300 -0.281 0.000 1.385 530 I CB -0.920 36.910 38.000 -0.283 0.000 1.064 530 I HN 0.242 nan 8.210 nan 0.000 0.414 531 K N 0.419 120.568 120.400 -0.418 0.000 2.026 531 K HA -0.209 4.111 4.320 -0.001 0.000 0.208 531 K C 2.240 178.786 176.600 -0.090 0.000 1.048 531 K CA 1.398 57.398 56.287 -0.477 0.000 0.929 531 K CB -0.254 31.631 32.500 -1.026 0.000 0.713 531 K HN 0.112 nan 8.250 nan 0.000 0.439 532 R N 0.752 121.182 120.500 -0.117 0.000 2.091 532 R HA -0.135 4.204 4.340 -0.001 0.000 0.238 532 R C 2.030 178.313 176.300 -0.028 0.000 1.136 532 R CA 2.106 58.188 56.100 -0.030 0.000 0.959 532 R CB -0.252 30.013 30.300 -0.058 0.000 0.856 532 R HN 0.176 nan 8.270 nan 0.000 0.437 533 T N 1.060 115.561 114.554 -0.087 0.000 2.812 533 T HA -0.032 4.317 4.350 -0.001 0.000 0.264 533 T C 1.748 176.399 174.700 -0.082 0.000 1.042 533 T CA 1.007 63.053 62.100 -0.090 0.000 1.140 533 T CB -0.057 68.723 68.868 -0.147 0.000 0.870 533 T HN 0.084 nan 8.240 nan 0.000 0.445 534 I N 1.940 122.433 120.570 -0.128 0.000 2.208 534 I HA -0.173 3.997 4.170 -0.001 0.000 0.245 534 I C 2.855 178.878 176.117 -0.157 0.000 1.097 534 I CA 1.334 62.526 61.300 -0.179 0.000 1.363 534 I CB -1.551 36.272 38.000 -0.296 0.000 1.051 534 I HN 0.202 nan 8.210 nan 0.000 0.413 535 A N 1.315 124.109 122.820 -0.043 0.000 1.832 535 A HA -0.213 4.107 4.320 -0.001 0.000 0.214 535 A C 2.107 179.782 177.584 0.152 0.000 1.200 535 A CA 1.997 54.123 52.037 0.148 0.000 0.610 535 A CB -1.196 17.955 19.000 0.252 0.000 0.842 535 A HN 0.476 nan 8.150 nan 0.000 0.444 536 N N -0.271 118.485 118.700 0.093 0.000 2.348 536 N HA -0.117 4.622 4.740 -0.001 0.000 0.185 536 N C 1.251 176.803 175.510 0.070 0.000 1.019 536 N CA 1.298 54.393 53.050 0.074 0.000 0.880 536 N CB -0.086 38.428 38.487 0.044 0.000 0.965 536 N HN 0.480 nan 8.380 nan 0.000 0.437 537 K N 0.391 120.831 120.400 0.066 0.000 2.374 537 K HA 0.132 4.451 4.320 -0.001 0.000 0.196 537 K C -0.296 176.371 176.600 0.111 0.000 1.023 537 K CA -0.000 56.328 56.287 0.069 0.000 1.103 537 K CB 0.622 33.147 32.500 0.042 0.000 0.848 537 K HN -0.107 nan 8.250 nan 0.000 0.528 538 K N 1.139 121.634 120.400 0.159 0.000 3.077 538 K HA -0.178 4.141 4.320 -0.001 0.000 0.264 538 K C -0.446 176.297 176.600 0.237 0.000 1.008 538 K CA 0.458 56.879 56.287 0.223 0.000 0.740 538 K CB -2.057 30.534 32.500 0.152 0.000 1.273 538 K HN 0.211 nan 8.250 nan 0.000 0.477 539 L N 0.267 121.631 121.223 0.236 0.000 2.464 539 L HA 0.113 4.452 4.340 -0.001 0.000 0.264 539 L C 0.810 177.904 176.870 0.373 0.000 1.199 539 L CA -0.137 54.856 54.840 0.254 0.000 0.818 539 L CB 0.459 42.640 42.059 0.204 0.000 1.102 539 L HN 0.121 nan 8.230 nan 0.000 0.473 540 K N 2.419 123.053 120.400 0.390 0.000 2.244 540 K HA 0.249 4.568 4.320 -0.001 0.000 0.263 540 K C -0.739 176.227 176.600 0.610 0.000 1.103 540 K CA -0.344 56.212 56.287 0.448 0.000 0.966 540 K CB 0.363 33.148 32.500 0.475 0.000 1.429 540 K HN 0.185 nan 8.250 nan 0.000 0.434 541 F N 2.942 123.107 119.950 0.357 0.000 2.412 541 F HA 0.266 4.792 4.527 -0.001 0.000 0.348 541 F C -0.843 175.082 175.800 0.208 0.000 1.102 541 F CA -0.936 57.254 58.000 0.317 0.000 1.196 541 F CB 0.346 39.549 39.000 0.338 0.000 1.144 541 F HN 0.319 nan 8.300 nan 0.000 0.541 542 Y N 4.154 124.328 120.300 -0.211 0.000 2.354 542 Y HA 0.271 4.820 4.550 -0.001 0.000 0.330 542 Y C -0.339 175.220 175.900 -0.568 0.000 1.011 542 Y CA -1.140 56.775 58.100 -0.307 0.000 1.099 542 Y CB 1.577 39.995 38.460 -0.070 0.000 1.179 542 Y HN 0.614 nan 8.280 nan 0.000 0.442 543 N N 2.383 120.835 118.700 -0.413 0.000 2.417 543 N HA 0.736 5.476 4.740 -0.001 0.000 0.300 543 N C -1.871 173.557 175.510 -0.136 0.000 1.102 543 N CA -0.536 52.292 53.050 -0.370 0.000 0.886 543 N CB 1.298 39.521 38.487 -0.441 0.000 1.203 543 N HN 0.606 nan 8.380 nan 0.000 0.496 544 I N 1.434 121.926 120.570 -0.130 0.000 2.627 544 I HA 0.223 4.392 4.170 -0.001 0.000 0.288 544 I C -1.542 174.507 176.117 -0.112 0.000 1.202 544 I CA -0.496 60.759 61.300 -0.075 0.000 1.050 544 I CB 1.689 39.667 38.000 -0.036 0.000 1.264 544 I HN 0.532 nan 8.210 nan 0.000 0.429 545 D N 6.826 127.169 120.400 -0.095 0.000 2.551 545 D HA 0.282 4.921 4.640 -0.001 0.000 0.223 545 D C 1.174 177.420 176.300 -0.090 0.000 1.144 545 D CA 0.565 54.496 54.000 -0.116 0.000 1.025 545 D CB 1.106 41.852 40.800 -0.090 0.000 1.085 545 D HN 0.727 nan 8.370 nan 0.000 0.506 546 A N 2.507 125.268 122.820 -0.100 0.000 1.978 546 A HA -0.167 4.153 4.320 -0.001 0.000 0.220 546 A C 2.264 179.807 177.584 -0.069 0.000 1.170 546 A CA 1.141 53.130 52.037 -0.079 0.000 0.636 546 A CB -0.231 18.712 19.000 -0.096 0.000 0.810 546 A HN 0.450 nan 8.150 nan 0.000 0.448 547 V N 0.248 120.113 119.914 -0.081 0.000 2.427 547 V HA -0.216 3.903 4.120 -0.001 0.000 0.248 547 V C 2.595 178.659 176.094 -0.049 0.000 1.051 547 V CA 2.169 64.431 62.300 -0.063 0.000 1.048 547 V CB -0.587 31.192 31.823 -0.072 0.000 0.666 547 V HN 0.558 nan 8.190 nan 0.000 0.456 548 K N 0.286 120.654 120.400 -0.052 0.000 2.007 548 K HA -0.102 4.218 4.320 -0.001 0.000 0.206 548 K C 2.170 178.752 176.600 -0.030 0.000 1.047 548 K CA 1.426 57.691 56.287 -0.037 0.000 0.937 548 K CB -0.289 32.189 32.500 -0.036 0.000 0.718 548 K HN 0.292 nan 8.250 nan 0.000 0.438 549 I N 1.671 122.222 120.570 -0.032 0.000 2.118 549 I HA -0.273 3.896 4.170 -0.001 0.000 0.241 549 I C 2.605 178.706 176.117 -0.027 0.000 1.070 549 I CA 1.557 62.841 61.300 -0.025 0.000 1.327 549 I CB -1.603 36.383 38.000 -0.024 0.000 1.034 549 I HN 0.138 nan 8.210 nan 0.000 0.405 550 A N 0.680 123.481 122.820 -0.031 0.000 1.873 550 A HA -0.257 4.062 4.320 -0.001 0.000 0.218 550 A C 2.442 180.010 177.584 -0.027 0.000 1.193 550 A CA 2.915 54.934 52.037 -0.030 0.000 0.629 550 A CB -1.269 17.713 19.000 -0.030 0.000 0.826 550 A HN 0.474 nan 8.150 nan 0.000 0.447 551 T N 0.018 114.557 114.554 -0.025 0.000 2.684 551 T HA -0.142 4.207 4.350 -0.001 0.000 0.267 551 T C 1.555 176.243 174.700 -0.019 0.000 1.036 551 T CA 1.606 63.694 62.100 -0.021 0.000 1.148 551 T CB -0.528 68.329 68.868 -0.018 0.000 0.863 551 T HN 0.491 nan 8.240 nan 0.000 0.436 552 D N 1.089 121.477 120.400 -0.019 0.000 2.106 552 D HA -0.107 4.532 4.640 -0.001 0.000 0.191 552 D C 2.246 178.535 176.300 -0.019 0.000 0.997 552 D CA 1.465 55.455 54.000 -0.017 0.000 0.834 552 D CB -0.642 40.149 40.800 -0.015 0.000 0.956 552 D HN 0.431 nan 8.370 nan 0.000 0.448 553 V N -3.123 116.777 119.914 -0.023 0.000 3.510 553 V HA 0.310 4.430 4.120 -0.001 0.000 0.270 553 V C 1.565 177.640 176.094 -0.032 0.000 1.201 553 V CA 1.062 63.345 62.300 -0.028 0.000 1.166 553 V CB -0.278 31.525 31.823 -0.034 0.000 0.825 553 V HN 0.324 nan 8.190 nan 0.000 0.484 554 G N 0.431 109.214 108.800 -0.028 0.000 2.176 554 G HA2 -0.258 3.701 3.960 -0.001 0.000 0.232 554 G HA3 -0.258 3.701 3.960 -0.001 0.000 0.232 554 G C 0.486 175.367 174.900 -0.031 0.000 0.986 554 G CA 0.285 45.369 45.100 -0.028 0.000 0.643 554 G HN 0.516 nan 8.290 nan 0.000 0.522 555 L N 1.011 122.212 121.223 -0.037 0.000 2.642 555 L HA 0.269 4.608 4.340 -0.001 0.000 0.236 555 L C 2.157 179.013 176.870 -0.023 0.000 1.169 555 L CA 0.895 55.712 54.840 -0.038 0.000 0.851 555 L CB -0.547 41.485 42.059 -0.045 0.000 0.968 555 L HN 1.089 nan 8.230 nan 0.000 0.453 556 G N 0.017 108.805 108.800 -0.020 0.000 2.249 556 G HA2 -0.222 3.737 3.960 -0.001 0.000 0.273 556 G HA3 -0.222 3.737 3.960 -0.001 0.000 0.273 556 G C 0.941 175.833 174.900 -0.012 0.000 1.036 556 G CA 0.331 45.423 45.100 -0.013 0.000 0.824 556 G HN 0.695 nan 8.290 nan 0.000 0.504 557 G N -1.532 107.257 108.800 -0.017 0.000 2.176 557 G HA2 -0.292 3.667 3.960 -0.001 0.000 0.253 557 G HA3 -0.292 3.667 3.960 -0.001 0.000 0.253 557 G C 0.515 175.405 174.900 -0.017 0.000 0.979 557 G CA 0.720 45.808 45.100 -0.019 0.000 0.641 557 G HN 1.026 nan 8.290 nan 0.000 0.530 558 R N 0.480 120.974 120.500 -0.011 0.000 2.296 558 R HA 0.366 4.705 4.340 -0.001 0.000 0.323 558 R C 1.792 178.086 176.300 -0.009 0.000 1.067 558 R CA 0.294 56.394 56.100 -0.002 0.000 0.946 558 R CB 0.245 30.552 30.300 0.012 0.000 0.991 558 R HN 0.571 nan 8.270 nan 0.000 0.448 559 I N 0.604 121.165 120.570 -0.016 0.000 3.428 559 I HA -0.071 4.098 4.170 -0.001 0.000 0.286 559 I C 1.343 177.439 176.117 -0.034 0.000 1.287 559 I CA 0.504 61.781 61.300 -0.038 0.000 1.396 559 I CB -0.418 37.541 38.000 -0.067 0.000 1.062 559 I HN 0.494 nan 8.210 nan 0.000 0.471 560 N N 1.307 120.012 118.700 0.008 0.000 2.069 560 N HA -0.289 4.450 4.740 -0.001 0.000 0.191 560 N C 1.680 177.222 175.510 0.053 0.000 1.031 560 N CA 1.908 54.981 53.050 0.038 0.000 0.852 560 N CB -0.574 37.955 38.487 0.070 0.000 1.018 560 N HN 0.298 nan 8.380 nan 0.000 0.423 561 M N -0.117 119.513 119.600 0.049 0.000 2.159 561 M HA 0.083 4.562 4.480 -0.001 0.000 0.263 561 M C 1.465 177.792 176.300 0.045 0.000 1.063 561 M CA 1.184 56.516 55.300 0.053 0.000 1.110 561 M CB -0.347 32.260 32.600 0.011 0.000 1.374 561 M HN 0.254 nan 8.290 nan 0.000 0.411 562 I N -0.591 119.988 120.570 0.014 0.000 2.202 562 I HA -0.270 3.899 4.170 -0.001 0.000 0.242 562 I C 2.047 178.187 176.117 0.039 0.000 1.091 562 I CA 1.188 62.497 61.300 0.014 0.000 1.368 562 I CB -0.586 37.404 38.000 -0.018 0.000 1.058 562 I HN 0.242 nan 8.210 nan 0.000 0.410 563 M N -0.514 119.079 119.600 -0.011 0.000 2.213 563 M HA -0.192 4.287 4.480 -0.001 0.000 0.263 563 M C 2.287 178.725 176.300 0.229 0.000 1.062 563 M CA 1.443 56.743 55.300 -0.001 0.000 1.105 563 M CB -1.378 30.970 32.600 -0.420 0.000 1.385 563 M HN 0.270 nan 8.290 nan 0.000 0.417 564 Q N 0.364 120.300 119.800 0.227 0.000 2.084 564 Q HA -0.096 4.243 4.340 -0.001 0.000 0.202 564 Q C 1.842 178.128 176.000 0.477 0.000 0.978 564 Q CA 2.374 58.403 55.803 0.376 0.000 0.844 564 Q CB -0.441 28.474 28.738 0.295 0.000 0.898 564 Q HN 0.472 nan 8.270 nan 0.000 0.426 565 T N 0.527 115.245 114.554 0.274 0.000 2.708 565 T HA -0.153 4.196 4.350 -0.001 0.000 0.266 565 T C 1.736 176.569 174.700 0.222 0.000 1.037 565 T CA 1.509 63.736 62.100 0.212 0.000 1.146 565 T CB -0.768 68.156 68.868 0.093 0.000 0.865 565 T HN 0.494 nan 8.240 nan 0.000 0.435 566 A N 1.526 124.468 122.820 0.203 0.000 1.884 566 A HA -0.166 4.153 4.320 -0.001 0.000 0.219 566 A C 2.015 179.711 177.584 0.187 0.000 1.197 566 A CA 2.064 54.210 52.037 0.182 0.000 0.637 566 A CB -1.179 17.953 19.000 0.219 0.000 0.827 566 A HN 0.498 nan 8.150 nan 0.000 0.450 567 F N -0.339 119.709 119.950 0.164 0.000 2.046 567 F HA -0.189 4.338 4.527 -0.001 0.000 0.297 567 F C 1.963 177.616 175.800 -0.246 0.000 1.123 567 F CA 1.882 59.828 58.000 -0.089 0.000 1.199 567 F CB -0.762 38.289 39.000 0.086 0.000 0.972 567 F HN 0.202 nan 8.300 nan 0.000 0.474 568 F N 0.848 120.595 119.950 -0.338 0.000 2.126 568 F HA -0.190 4.336 4.527 -0.001 0.000 0.299 568 F C 2.641 178.221 175.800 -0.366 0.000 1.096 568 F CA 2.149 59.875 58.000 -0.457 0.000 1.255 568 F CB -0.710 38.179 39.000 -0.185 0.000 0.997 568 F HN -0.017 nan 8.300 nan 0.000 0.479 569 K N -0.269 120.110 120.400 -0.036 0.000 2.076 569 K HA -0.099 4.220 4.320 -0.001 0.000 0.204 569 K C 1.420 177.975 176.600 -0.074 0.000 1.051 569 K CA 1.061 57.352 56.287 0.008 0.000 0.949 569 K CB 0.011 32.572 32.500 0.103 0.000 0.726 569 K HN 0.147 nan 8.250 nan 0.000 0.443 570 L N 0.014 121.128 121.223 -0.181 0.000 2.616 570 L HA 0.258 4.598 4.340 -0.001 0.000 0.229 570 L C 1.876 178.585 176.870 -0.268 0.000 1.110 570 L CA 0.585 55.313 54.840 -0.185 0.000 0.884 570 L CB -0.060 41.865 42.059 -0.223 0.000 1.115 570 L HN 0.100 nan 8.230 nan 0.000 0.481 571 A N 0.056 122.504 122.820 -0.620 0.000 1.933 571 A HA 0.205 4.524 4.320 -0.001 0.000 0.218 571 A C 1.897 179.294 177.584 -0.311 0.000 1.175 571 A CA 1.415 53.025 52.037 -0.712 0.000 0.628 571 A CB -0.656 17.634 19.000 -1.183 0.000 0.814 571 A HN 0.550 nan 8.150 nan 0.000 0.444 572 G N -1.944 106.687 108.800 -0.283 0.000 2.132 572 G HA2 -0.229 3.730 3.960 -0.001 0.000 0.234 572 G HA3 -0.229 3.730 3.960 -0.001 0.000 0.234 572 G C 1.007 175.823 174.900 -0.139 0.000 0.989 572 G CA 0.924 45.942 45.100 -0.137 0.000 0.676 572 G HN 1.589 nan 8.290 nan 0.000 0.522 573 V N -2.827 116.929 119.914 -0.262 0.000 2.878 573 V HA 0.629 4.748 4.120 -0.001 0.000 0.250 573 V C 1.126 177.101 176.094 -0.197 0.000 1.075 573 V CA 1.173 63.331 62.300 -0.237 0.000 1.096 573 V CB -0.027 31.523 31.823 -0.455 0.000 0.724 573 V HN 0.427 nan 8.190 nan 0.000 0.467 574 L N 0.939 122.036 121.223 -0.210 0.000 2.393 574 L HA 0.576 4.915 4.340 -0.001 0.000 0.260 574 L C -2.663 174.165 176.870 -0.071 0.000 1.002 574 L CA -1.919 52.848 54.840 -0.123 0.000 0.818 574 L CB 2.663 44.652 42.059 -0.116 0.000 1.369 574 L HN -0.002 nan 8.230 nan 0.000 0.412 575 P HA 0.038 nan 4.420 nan 0.000 0.276 575 P C 0.669 178.002 177.300 0.056 0.000 1.230 575 P CA -0.267 62.851 63.100 0.031 0.000 0.776 575 P CB 0.829 32.549 31.700 0.034 0.000 0.888 576 F N 3.561 123.489 119.950 -0.037 0.000 2.063 576 F HA -0.330 4.197 4.527 -0.001 0.000 0.297 576 F C 1.983 177.768 175.800 -0.026 0.000 1.099 576 F CA 2.100 60.083 58.000 -0.029 0.000 1.220 576 F CB -0.346 38.642 39.000 -0.020 0.000 0.972 576 F HN 0.277 nan 8.300 nan 0.000 0.487 577 E N 0.716 120.977 120.200 0.102 0.000 2.026 577 E HA -0.314 4.035 4.350 -0.001 0.000 0.206 577 E C 2.277 178.776 176.600 -0.168 0.000 1.028 577 E CA 1.923 58.303 56.400 -0.034 0.000 0.845 577 E CB -0.810 28.944 29.700 0.090 0.000 0.772 577 E HN 0.509 nan 8.360 nan 0.000 0.462 578 K N 0.404 120.750 120.400 -0.091 0.000 2.063 578 K HA -0.154 4.166 4.320 -0.001 0.000 0.208 578 K C 2.070 178.589 176.600 -0.135 0.000 1.048 578 K CA 1.320 57.551 56.287 -0.094 0.000 0.928 578 K CB -0.157 32.313 32.500 -0.051 0.000 0.713 578 K HN 0.109 nan 8.250 nan 0.000 0.442 579 A N 0.745 123.484 122.820 -0.134 0.000 1.849 579 A HA -0.207 4.113 4.320 -0.001 0.000 0.216 579 A C 2.222 179.656 177.584 -0.250 0.000 1.225 579 A CA 2.294 54.275 52.037 -0.092 0.000 0.653 579 A CB -1.206 17.762 19.000 -0.054 0.000 0.844 579 A HN 0.163 nan 8.150 nan 0.000 0.453 580 V N 1.062 120.733 119.914 -0.405 0.000 2.380 580 V HA -0.289 3.830 4.120 -0.001 0.000 0.251 580 V C 2.446 178.321 176.094 -0.365 0.000 1.063 580 V CA 2.549 64.581 62.300 -0.445 0.000 1.055 580 V CB -1.023 30.413 31.823 -0.646 0.000 0.657 580 V HN 0.766 nan 8.190 nan 0.000 0.455 581 D N 0.030 120.238 120.400 -0.321 0.000 2.092 581 D HA -0.178 4.462 4.640 -0.001 0.000 0.193 581 D C 2.023 178.188 176.300 -0.225 0.000 0.994 581 D CA 1.474 55.336 54.000 -0.230 0.000 0.828 581 D CB -0.210 40.489 40.800 -0.170 0.000 0.963 581 D HN 0.261 nan 8.370 nan 0.000 0.450 582 L N 0.825 121.919 121.223 -0.216 0.000 2.012 582 L HA -0.096 4.243 4.340 -0.001 0.000 0.210 582 L C 2.677 179.371 176.870 -0.293 0.000 1.073 582 L CA 1.249 55.970 54.840 -0.199 0.000 0.748 582 L CB -0.957 41.023 42.059 -0.133 0.000 0.891 582 L HN 0.216 nan 8.230 nan 0.000 0.431 583 L N -0.829 120.107 121.223 -0.478 0.000 2.013 583 L HA -0.331 4.008 4.340 -0.001 0.000 0.212 583 L C 2.595 179.252 176.870 -0.356 0.000 1.073 583 L CA 1.736 56.217 54.840 -0.598 0.000 0.753 583 L CB -0.288 41.287 42.059 -0.807 0.000 0.890 583 L HN 0.330 nan 8.230 nan 0.000 0.432 584 K N -0.292 119.913 120.400 -0.324 0.000 2.097 584 K HA -0.215 4.104 4.320 -0.001 0.000 0.206 584 K C 2.083 178.452 176.600 -0.386 0.000 1.049 584 K CA 1.494 57.587 56.287 -0.324 0.000 0.933 584 K CB -0.061 32.258 32.500 -0.302 0.000 0.717 584 K HN 0.364 nan 8.250 nan 0.000 0.442 585 K N 0.578 120.806 120.400 -0.287 0.000 2.097 585 K HA -0.113 4.207 4.320 -0.001 0.000 0.206 585 K C 2.309 178.830 176.600 -0.133 0.000 1.049 585 K CA 1.706 57.867 56.287 -0.211 0.000 0.933 585 K CB -0.097 32.329 32.500 -0.124 0.000 0.717 585 K HN 0.168 nan 8.250 nan 0.000 0.442 586 S N 0.889 116.512 115.700 -0.129 0.000 2.453 586 S HA -0.056 4.414 4.470 -0.001 0.000 0.231 586 S C 1.943 176.541 174.600 -0.003 0.000 1.005 586 S CA 0.514 58.677 58.200 -0.062 0.000 0.949 586 S CB -0.237 62.917 63.200 -0.076 0.000 0.774 586 S HN 0.075 nan 8.310 nan 0.000 0.510 587 I N 2.392 122.942 120.570 -0.033 0.000 2.226 587 I HA -0.149 4.020 4.170 -0.001 0.000 0.245 587 I C 2.470 178.728 176.117 0.235 0.000 1.100 587 I CA 1.605 62.971 61.300 0.110 0.000 1.374 587 I CB -1.616 36.360 38.000 -0.039 0.000 1.057 587 I HN 0.497 nan 8.210 nan 0.000 0.413 588 H N 0.285 119.384 119.070 0.047 0.000 2.333 588 H HA -0.136 4.420 4.556 -0.001 0.000 0.302 588 H C 2.337 177.685 175.328 0.033 0.000 1.075 588 H CA 1.064 57.133 56.048 0.036 0.000 1.348 588 H CB 0.220 29.983 29.762 0.001 0.000 1.393 588 H HN 0.197 nan 8.280 nan 0.000 0.509 589 K N 1.407 121.892 120.400 0.141 0.000 1.987 589 K HA -0.129 4.191 4.320 -0.001 0.000 0.216 589 K C 1.218 177.838 176.600 0.034 0.000 1.051 589 K CA 1.059 57.382 56.287 0.059 0.000 0.942 589 K CB -0.187 32.324 32.500 0.018 0.000 0.722 589 K HN 0.172 nan 8.250 nan 0.000 0.444 590 A N -0.379 122.447 122.820 0.011 0.000 2.262 590 A HA 0.278 4.597 4.320 -0.001 0.000 0.273 590 A C -0.129 177.456 177.584 0.003 0.000 1.202 590 A CA 0.083 52.059 52.037 -0.100 0.000 0.811 590 A CB -0.345 18.501 19.000 -0.257 0.000 1.159 590 A HN 0.465 nan 8.150 nan 0.000 0.505 591 Y N -1.853 118.449 120.300 0.004 0.000 2.857 591 Y HA -0.280 4.270 4.550 -0.001 0.000 0.463 591 Y C 2.040 177.941 175.900 0.001 0.000 1.175 591 Y CA 1.662 59.765 58.100 0.004 0.000 2.549 591 Y CB -1.685 36.783 38.460 0.014 0.000 1.208 591 Y HN 2.153 nan 8.280 nan 0.000 0.633 592 G N -0.092 108.836 108.800 0.214 0.000 2.216 592 G HA2 -0.446 3.513 3.960 -0.001 0.000 0.269 592 G HA3 -0.446 3.513 3.960 -0.001 0.000 0.269 592 G C 1.053 175.982 174.900 0.048 0.000 0.981 592 G CA 1.751 46.901 45.100 0.084 0.000 0.658 592 G HN 0.982 nan 8.290 nan 0.000 0.539 593 K N -0.208 120.232 120.400 0.066 0.000 2.025 593 K HA 0.012 4.331 4.320 -0.001 0.000 0.207 593 K C 0.920 177.533 176.600 0.021 0.000 1.049 593 K CA 1.269 57.575 56.287 0.032 0.000 0.933 593 K CB 0.007 32.529 32.500 0.036 0.000 0.714 593 K HN 0.266 nan 8.250 nan 0.000 0.438 594 K N 1.819 122.237 120.400 0.031 0.000 2.473 594 K HA 0.245 4.564 4.320 -0.001 0.000 0.246 594 K C -0.178 176.424 176.600 0.002 0.000 1.011 594 K CA -0.130 56.164 56.287 0.012 0.000 0.984 594 K CB 1.532 34.041 32.500 0.014 0.000 1.250 594 K HN 0.487 nan 8.250 nan 0.000 0.454 595 G N 2.197 110.992 108.800 -0.008 0.000 2.606 595 G HA2 -0.300 3.659 3.960 -0.001 0.000 0.285 595 G HA3 -0.300 3.659 3.960 -0.001 0.000 0.285 595 G C 0.389 175.273 174.900 -0.027 0.000 1.311 595 G CA -0.234 44.854 45.100 -0.020 0.000 0.922 595 G HN 0.638 nan 8.290 nan 0.000 0.559 596 E N -0.135 120.042 120.200 -0.039 0.000 2.474 596 E HA 0.036 4.385 4.350 -0.001 0.000 0.195 596 E C 2.219 178.796 176.600 -0.039 0.000 1.039 596 E CA 0.407 56.776 56.400 -0.051 0.000 0.881 596 E CB 0.278 29.938 29.700 -0.067 0.000 0.970 596 E HN 0.578 nan 8.360 nan 0.000 0.486 597 K N 1.248 121.629 120.400 -0.032 0.000 1.985 597 K HA -0.089 4.230 4.320 -0.001 0.000 0.210 597 K C 2.030 178.603 176.600 -0.045 0.000 1.047 597 K CA 1.052 57.319 56.287 -0.033 0.000 0.932 597 K CB -0.078 32.406 32.500 -0.026 0.000 0.716 597 K HN 0.042 nan 8.250 nan 0.000 0.439 598 I N 1.170 121.713 120.570 -0.044 0.000 2.361 598 I HA -0.248 3.922 4.170 -0.001 0.000 0.251 598 I C 2.267 178.302 176.117 -0.136 0.000 1.133 598 I CA 0.685 61.939 61.300 -0.077 0.000 1.413 598 I CB -0.148 37.829 38.000 -0.038 0.000 1.073 598 I HN 0.039 nan 8.210 nan 0.000 0.424 599 V N 1.061 120.927 119.914 -0.080 0.000 2.237 599 V HA -0.303 3.816 4.120 -0.001 0.000 0.245 599 V C 2.573 178.629 176.094 -0.063 0.000 1.046 599 V CA 2.065 64.328 62.300 -0.062 0.000 1.007 599 V CB -0.673 31.159 31.823 0.015 0.000 0.638 599 V HN 0.340 nan 8.190 nan 0.000 0.445 600 K N 0.335 120.712 120.400 -0.039 0.000 2.089 600 K HA -0.215 4.104 4.320 -0.001 0.000 0.210 600 K C 2.022 178.588 176.600 -0.057 0.000 1.048 600 K CA 2.079 58.348 56.287 -0.031 0.000 0.926 600 K CB -0.598 31.886 32.500 -0.027 0.000 0.714 600 K HN 0.443 nan 8.250 nan 0.000 0.448 601 M N -0.072 119.480 119.600 -0.080 0.000 2.149 601 M HA -0.200 4.279 4.480 -0.001 0.000 0.261 601 M C 1.694 177.925 176.300 -0.114 0.000 1.064 601 M CA 2.083 57.330 55.300 -0.089 0.000 1.102 601 M CB -0.534 32.008 32.600 -0.097 0.000 1.369 601 M HN 0.195 nan 8.290 nan 0.000 0.408 602 N N -0.274 118.322 118.700 -0.173 0.000 2.135 602 N HA -0.082 4.658 4.740 -0.001 0.000 0.186 602 N C 1.620 177.058 175.510 -0.120 0.000 1.027 602 N CA 1.751 54.683 53.050 -0.196 0.000 0.849 602 N CB -0.344 37.923 38.487 -0.368 0.000 1.002 602 N HN 0.235 nan 8.380 nan 0.000 0.425 603 T N 0.818 115.316 114.554 -0.093 0.000 2.684 603 T HA -0.133 4.216 4.350 -0.001 0.000 0.267 603 T C 0.977 175.644 174.700 -0.055 0.000 1.036 603 T CA 1.406 63.465 62.100 -0.069 0.000 1.148 603 T CB -0.417 68.436 68.868 -0.025 0.000 0.863 603 T HN 0.200 nan 8.240 nan 0.000 0.436 604 D N 1.333 121.704 120.400 -0.048 0.000 2.104 604 D HA -0.032 4.607 4.640 -0.001 0.000 0.194 604 D C 2.401 178.680 176.300 -0.035 0.000 0.994 604 D CA 1.329 55.307 54.000 -0.035 0.000 0.830 604 D CB -0.643 40.136 40.800 -0.034 0.000 0.959 604 D HN 0.400 nan 8.370 nan 0.000 0.452 605 A N 0.602 123.394 122.820 -0.048 0.000 1.892 605 A HA -0.191 4.128 4.320 -0.001 0.000 0.218 605 A C 2.545 180.113 177.584 -0.026 0.000 1.188 605 A CA 1.758 53.771 52.037 -0.039 0.000 0.631 605 A CB -0.877 18.092 19.000 -0.052 0.000 0.822 605 A HN 0.157 nan 8.150 nan 0.000 0.447 606 V N 0.569 120.460 119.914 -0.038 0.000 2.233 606 V HA -0.282 3.838 4.120 -0.001 0.000 0.247 606 V C 2.286 178.372 176.094 -0.013 0.000 1.050 606 V CA 2.337 64.617 62.300 -0.033 0.000 1.010 606 V CB -0.995 30.783 31.823 -0.074 0.000 0.637 606 V HN 0.499 nan 8.190 nan 0.000 0.444 607 D N -0.417 119.973 120.400 -0.017 0.000 2.126 607 D HA -0.265 4.374 4.640 -0.001 0.000 0.190 607 D C 2.209 178.521 176.300 0.020 0.000 1.001 607 D CA 1.975 55.978 54.000 0.005 0.000 0.841 607 D CB -0.312 40.487 40.800 -0.002 0.000 0.949 607 D HN 0.558 nan 8.370 nan 0.000 0.446 608 Q N -0.246 119.559 119.800 0.008 0.000 2.224 608 Q HA -0.049 4.290 4.340 -0.001 0.000 0.203 608 Q C 1.891 177.904 176.000 0.022 0.000 0.970 608 Q CA 1.139 56.949 55.803 0.012 0.000 0.865 608 Q CB 0.045 28.784 28.738 0.001 0.000 0.922 608 Q HN 0.236 nan 8.270 nan 0.000 0.445 609 A N -0.392 122.442 122.820 0.023 0.000 1.897 609 A HA -0.095 4.224 4.320 -0.001 0.000 0.215 609 A C 2.129 179.750 177.584 0.062 0.000 1.181 609 A CA 1.236 53.295 52.037 0.036 0.000 0.620 609 A CB -0.561 18.459 19.000 0.033 0.000 0.821 609 A HN 0.273 nan 8.150 nan 0.000 0.443 610 V N 0.115 120.074 119.914 0.075 0.000 2.343 610 V HA -0.235 3.885 4.120 -0.001 0.000 0.247 610 V C 2.734 178.891 176.094 0.105 0.000 1.051 610 V CA 2.487 64.859 62.300 0.120 0.000 1.036 610 V CB -1.369 30.556 31.823 0.170 0.000 0.654 610 V HN 0.616 nan 8.190 nan 0.000 0.451 611 T N -0.180 114.419 114.554 0.074 0.000 2.701 611 T HA -0.163 4.186 4.350 -0.001 0.000 0.263 611 T C 2.058 176.787 174.700 0.049 0.000 1.040 611 T CA 1.869 64.001 62.100 0.052 0.000 1.147 611 T CB -0.329 68.559 68.868 0.034 0.000 0.865 611 T HN 0.496 nan 8.240 nan 0.000 0.426 612 S N 0.922 116.650 115.700 0.047 0.000 2.447 612 S HA 0.079 4.548 4.470 -0.001 0.000 0.233 612 S C 0.711 175.354 174.600 0.072 0.000 1.006 612 S CA 0.155 58.382 58.200 0.044 0.000 0.957 612 S CB -0.306 62.912 63.200 0.029 0.000 0.773 612 S HN 0.154 nan 8.310 nan 0.000 0.507 613 L N 3.510 124.797 121.223 0.105 0.000 2.451 613 L HA 0.209 4.548 4.340 -0.001 0.000 0.272 613 L C -0.161 176.867 176.870 0.263 0.000 1.258 613 L CA 0.582 55.534 54.840 0.188 0.000 1.132 613 L CB -0.542 41.614 42.059 0.161 0.000 1.361 613 L HN 0.111 nan 8.230 nan 0.000 0.438 614 Q N 1.681 121.589 119.800 0.180 0.000 2.377 614 Q HA 0.242 4.581 4.340 -0.001 0.000 0.271 614 Q C -0.435 175.422 176.000 -0.239 0.000 1.077 614 Q CA -0.672 55.156 55.803 0.041 0.000 0.820 614 Q CB 1.838 30.566 28.738 -0.016 0.000 1.347 614 Q HN 0.392 nan 8.270 nan 0.000 0.444 615 E N 2.255 122.150 120.200 -0.507 0.000 2.463 615 E HA -0.056 4.293 4.350 -0.001 0.000 0.248 615 E C -0.882 175.503 176.600 -0.358 0.000 1.106 615 E CA -0.077 55.852 56.400 -0.785 0.000 0.946 615 E CB 0.077 29.473 29.700 -0.506 0.000 0.971 615 E HN 0.367 nan 8.360 nan 0.000 0.478 616 F N 5.584 125.276 119.950 -0.430 0.000 2.557 616 F HA 0.065 4.591 4.527 -0.001 0.000 0.384 616 F C 0.057 175.796 175.800 -0.102 0.000 1.057 616 F CA -0.069 57.782 58.000 -0.249 0.000 1.169 616 F CB 0.420 39.182 39.000 -0.397 0.000 1.070 616 F HN 0.207 nan 8.300 nan 0.000 0.554 617 K N 7.592 127.600 120.400 -0.653 0.000 2.248 617 K HA 0.144 4.463 4.320 -0.001 0.000 0.281 617 K C -1.076 175.092 176.600 -0.720 0.000 1.054 617 K CA -0.263 55.668 56.287 -0.594 0.000 0.903 617 K CB 0.710 32.918 32.500 -0.488 0.000 1.077 617 K HN 0.679 nan 8.250 nan 0.000 0.474 618 Y N 1.574 121.589 120.300 -0.474 0.000 2.446 618 Y HA 0.623 5.172 4.550 -0.001 0.000 0.338 618 Y C -2.190 173.356 175.900 -0.590 0.000 1.055 618 Y CA -2.982 54.679 58.100 -0.732 0.000 1.101 618 Y CB 0.036 37.812 38.460 -1.140 0.000 1.221 618 Y HN 0.407 nan 8.280 nan 0.000 0.460 619 P HA 0.055 nan 4.420 nan 0.000 0.274 619 P C -0.398 176.834 177.300 -0.113 0.000 1.231 619 P CA -0.110 62.834 63.100 -0.261 0.000 0.790 619 P CB 1.499 33.114 31.700 -0.141 0.000 0.951 620 D N 0.304 120.683 120.400 -0.034 0.000 2.378 620 D HA -0.096 4.543 4.640 -0.001 0.000 0.222 620 D C 1.324 177.704 176.300 0.133 0.000 0.980 620 D CA 0.894 54.933 54.000 0.064 0.000 0.907 620 D CB -0.034 40.782 40.800 0.027 0.000 0.899 620 D HN 0.180 nan 8.370 nan 0.000 0.527 621 S N -0.477 115.309 115.700 0.144 0.000 2.402 621 S HA -0.127 4.342 4.470 -0.001 0.000 0.229 621 S C 1.286 176.092 174.600 0.343 0.000 1.021 621 S CA 0.431 58.757 58.200 0.210 0.000 0.974 621 S CB -0.349 62.978 63.200 0.212 0.000 0.800 621 S HN 0.478 nan 8.310 nan 0.000 0.484 622 W N 2.493 123.856 121.300 0.105 0.000 2.350 622 W HA 0.011 4.670 4.660 -0.001 0.000 0.289 622 W C 1.902 178.443 176.519 0.038 0.000 1.215 622 W CA 0.107 57.495 57.345 0.072 0.000 1.236 622 W CB -0.755 28.757 29.460 0.087 0.000 1.130 622 W HN 0.303 nan 8.180 nan 0.000 0.541 623 K N -0.009 120.559 120.400 0.280 0.000 2.444 623 K HA -0.198 4.121 4.320 -0.001 0.000 0.200 623 K C -0.111 176.549 176.600 0.099 0.000 1.045 623 K CA 1.675 58.057 56.287 0.159 0.000 0.934 623 K CB -0.475 32.104 32.500 0.132 0.000 0.756 623 K HN 0.363 nan 8.250 nan 0.000 0.477 624 D N -2.102 118.358 120.400 0.100 0.000 2.996 624 D HA 0.153 4.792 4.640 -0.001 0.000 0.343 624 D C -0.598 175.724 176.300 0.037 0.000 1.574 624 D CA -0.454 53.578 54.000 0.052 0.000 0.773 624 D CB -0.013 40.815 40.800 0.047 0.000 1.241 624 D HN 0.026 nan 8.370 nan 0.000 0.469 625 A N 2.126 124.962 122.820 0.027 0.000 2.565 625 A HA 0.408 4.727 4.320 -0.001 0.000 0.237 625 A C -1.695 175.863 177.584 -0.043 0.000 1.053 625 A CA -0.715 51.310 52.037 -0.020 0.000 0.755 625 A CB -0.118 18.805 19.000 -0.129 0.000 0.980 625 A HN 0.258 nan 8.150 nan 0.000 0.506 626 P HA 0.215 nan 4.420 nan 0.000 0.263 626 P C 0.082 177.346 177.300 -0.061 0.000 1.195 626 P CA 0.408 63.484 63.100 -0.040 0.000 0.762 626 P CB 0.513 32.194 31.700 -0.031 0.000 0.799 627 A N 3.963 126.750 122.820 -0.055 0.000 2.466 627 A HA 0.130 4.449 4.320 -0.001 0.000 0.238 627 A C 0.889 178.435 177.584 -0.064 0.000 1.074 627 A CA -0.202 51.797 52.037 -0.064 0.000 0.774 627 A CB -0.215 18.755 19.000 -0.051 0.000 1.015 627 A HN 0.697 nan 8.150 nan 0.000 0.498 628 E N 0.522 120.678 120.200 -0.072 0.000 2.790 628 E HA 0.516 4.865 4.350 -0.001 0.000 0.256 628 E C 0.574 177.141 176.600 -0.055 0.000 1.246 628 E CA -0.152 56.207 56.400 -0.069 0.000 1.041 628 E CB 0.164 29.814 29.700 -0.083 0.000 1.272 628 E HN 0.686 nan 8.360 nan 0.000 0.603 629 T N -1.723 112.800 114.554 -0.052 0.000 3.753 629 T HA 0.312 4.661 4.350 -0.001 0.000 0.299 629 T C -0.023 174.653 174.700 -0.040 0.000 1.202 629 T CA -0.408 61.667 62.100 -0.042 0.000 0.945 629 T CB -0.070 68.776 68.868 -0.037 0.000 2.279 629 T HN 0.643 nan 8.240 nan 0.000 0.509 630 K N -0.191 120.189 120.400 -0.034 0.000 3.204 630 K HA 0.611 4.930 4.320 -0.001 0.000 0.196 630 K C -0.280 176.307 176.600 -0.022 0.000 1.229 630 K CA -0.537 55.733 56.287 -0.029 0.000 0.820 630 K CB 0.209 32.693 32.500 -0.026 0.000 1.130 630 K HN 0.564 nan 8.250 nan 0.000 0.569 631 A N 2.060 124.866 122.820 -0.024 0.000 2.626 631 A HA 0.040 4.359 4.320 -0.001 0.000 0.238 631 A C -0.136 177.444 177.584 -0.007 0.000 1.641 631 A CA -0.025 52.002 52.037 -0.016 0.000 1.449 631 A CB -0.869 18.119 19.000 -0.021 0.000 0.888 631 A HN 0.651 nan 8.150 nan 0.000 0.628 632 E N 0.362 120.560 120.200 -0.003 0.000 2.223 632 E HA 0.506 4.855 4.350 -0.001 0.000 0.282 632 E C -2.432 174.177 176.600 0.015 0.000 1.046 632 E CA -1.850 54.556 56.400 0.010 0.000 0.857 632 E CB -0.399 29.307 29.700 0.010 0.000 1.055 632 E HN 0.263 nan 8.360 nan 0.000 0.409 633 P HA 0.070 nan 4.420 nan 0.000 0.271 633 P C -0.665 176.646 177.300 0.019 0.000 1.244 633 P CA -0.615 62.501 63.100 0.027 0.000 0.793 633 P CB 0.365 32.089 31.700 0.041 0.000 0.984 634 M N 1.252 120.862 119.600 0.015 0.000 2.242 634 M HA 0.435 4.915 4.480 -0.001 0.000 0.344 634 M C 0.032 176.299 176.300 -0.054 0.000 1.140 634 M CA 0.938 56.233 55.300 -0.008 0.000 1.160 634 M CB 0.095 32.699 32.600 0.007 0.000 1.491 634 M HN 0.449 nan 8.290 nan 0.000 0.459 635 T N 2.517 116.976 114.554 -0.159 0.000 2.658 635 T HA 0.409 4.759 4.350 -0.001 0.000 0.305 635 T C -0.989 173.467 174.700 -0.407 0.000 1.551 635 T CA -0.883 60.914 62.100 -0.505 0.000 0.985 635 T CB 0.577 69.083 68.868 -0.603 0.000 1.731 635 T HN 0.786 nan 8.240 nan 0.000 0.486 636 N N 1.912 120.243 118.700 -0.615 0.000 2.381 636 N HA 0.114 4.853 4.740 -0.001 0.000 0.241 636 N C 1.407 176.899 175.510 -0.031 0.000 1.279 636 N CA 0.203 53.132 53.050 -0.202 0.000 0.896 636 N CB 0.539 38.988 38.487 -0.063 0.000 1.118 636 N HN 0.673 nan 8.380 nan 0.000 0.438 637 E N 1.042 121.256 120.200 0.024 0.000 2.158 637 E HA -0.160 4.189 4.350 -0.001 0.000 0.191 637 E C 1.543 178.173 176.600 0.050 0.000 0.982 637 E CA 0.967 57.381 56.400 0.023 0.000 0.823 637 E CB -0.566 29.148 29.700 0.024 0.000 0.766 637 E HN 0.648 nan 8.360 nan 0.000 0.468 638 F N 1.028 120.963 119.950 -0.025 0.000 2.146 638 F HA -0.022 4.504 4.527 -0.001 0.000 0.298 638 F C 2.102 177.905 175.800 0.005 0.000 1.096 638 F CA 1.077 59.060 58.000 -0.027 0.000 1.275 638 F CB -0.318 38.678 39.000 -0.006 0.000 1.008 638 F HN 0.010 nan 8.300 nan 0.000 0.480 639 F N 0.920 120.863 119.950 -0.013 0.000 2.234 639 F HA -0.076 4.450 4.527 -0.001 0.000 0.299 639 F C 2.350 178.065 175.800 -0.142 0.000 1.087 639 F CA 1.696 59.649 58.000 -0.079 0.000 1.340 639 F CB -0.410 38.512 39.000 -0.130 0.000 1.031 639 F HN -0.105 nan 8.300 nan 0.000 0.500 640 K N -0.050 120.335 120.400 -0.025 0.000 2.031 640 K HA -0.104 4.216 4.320 -0.001 0.000 0.205 640 K C 1.638 178.133 176.600 -0.176 0.000 1.049 640 K CA 1.601 57.843 56.287 -0.075 0.000 0.939 640 K CB -0.046 32.439 32.500 -0.025 0.000 0.717 640 K HN 0.201 nan 8.250 nan 0.000 0.438 641 N N -0.523 118.053 118.700 -0.207 0.000 2.405 641 N HA -0.032 4.708 4.740 -0.001 0.000 0.175 641 N C 1.380 176.679 175.510 -0.352 0.000 1.051 641 N CA 0.641 53.550 53.050 -0.236 0.000 0.899 641 N CB 0.725 39.099 38.487 -0.188 0.000 1.000 641 N HN 0.015 nan 8.380 nan 0.000 0.451 642 V N 0.086 119.671 119.914 -0.548 0.000 2.870 642 V HA 0.044 4.163 4.120 -0.001 0.000 0.232 642 V C 2.153 177.960 176.094 -0.479 0.000 1.161 642 V CA 0.460 62.369 62.300 -0.652 0.000 1.204 642 V CB -0.367 30.698 31.823 -1.263 0.000 1.003 642 V HN 0.028 nan 8.190 nan 0.000 0.499 643 V N 0.506 120.088 119.914 -0.553 0.000 2.358 643 V HA -0.216 3.903 4.120 -0.001 0.000 0.246 643 V C 2.310 178.130 176.094 -0.457 0.000 1.047 643 V CA 2.855 64.947 62.300 -0.346 0.000 1.035 643 V CB -0.406 31.330 31.823 -0.146 0.000 0.658 643 V HN 0.593 nan 8.190 nan 0.000 0.452 644 K N 0.275 120.224 120.400 -0.752 0.000 2.057 644 K HA -0.069 4.250 4.320 -0.001 0.000 0.207 644 K C -0.013 176.450 176.600 -0.229 0.000 1.049 644 K CA 1.769 57.739 56.287 -0.528 0.000 0.931 644 K CB -1.083 31.125 32.500 -0.487 0.000 0.714 644 K HN 0.465 nan 8.250 nan 0.000 0.440 645 P HA -0.154 nan 4.420 nan 0.000 0.216 645 P C 0.991 178.264 177.300 -0.045 0.000 1.150 645 P CA 1.313 64.349 63.100 -0.106 0.000 0.837 645 P CB 0.060 31.686 31.700 -0.124 0.000 0.786 646 I N -1.681 118.860 120.570 -0.050 0.000 2.286 646 I HA -0.163 4.006 4.170 -0.001 0.000 0.245 646 I C 2.154 178.295 176.117 0.039 0.000 1.104 646 I CA 1.069 62.380 61.300 0.020 0.000 1.397 646 I CB -0.623 37.415 38.000 0.064 0.000 1.072 646 I HN -0.136 nan 8.210 nan 0.000 0.417 647 L N 0.541 121.777 121.223 0.023 0.000 2.265 647 L HA -0.150 4.189 4.340 -0.001 0.000 0.215 647 L C 2.014 178.994 176.870 0.182 0.000 1.117 647 L CA 1.473 56.367 54.840 0.091 0.000 0.782 647 L CB -0.747 41.357 42.059 0.075 0.000 0.914 647 L HN 0.439 nan 8.230 nan 0.000 0.441 648 T N -4.333 110.311 114.554 0.149 0.000 3.223 648 T HA 0.107 4.456 4.350 -0.001 0.000 0.259 648 T C 0.576 175.412 174.700 0.227 0.000 1.015 648 T CA -0.451 61.810 62.100 0.269 0.000 0.908 648 T CB 0.351 69.298 68.868 0.131 0.000 1.054 648 T HN 0.246 nan 8.240 nan 0.000 0.567 649 Q N 0.228 120.103 119.800 0.124 0.000 2.494 649 Q HA -0.165 4.175 4.340 -0.001 0.000 0.272 649 Q C 0.256 176.290 176.000 0.056 0.000 1.145 649 Q CA 0.813 56.650 55.803 0.056 0.000 0.943 649 Q CB -2.169 26.589 28.738 0.034 0.000 1.338 649 Q HN 0.631 nan 8.270 nan 0.000 0.492 650 Q N -1.700 118.130 119.800 0.050 0.000 2.194 650 Q HA 0.228 4.567 4.340 -0.001 0.000 0.214 650 Q C 1.754 177.772 176.000 0.031 0.000 0.838 650 Q CA 0.733 56.557 55.803 0.035 0.000 0.972 650 Q CB 0.660 29.411 28.738 0.021 0.000 1.131 650 Q HN 0.458 nan 8.270 nan 0.000 0.498 651 G N 1.865 110.689 108.800 0.040 0.000 2.505 651 G HA2 -0.286 3.674 3.960 -0.001 0.000 0.220 651 G HA3 -0.286 3.674 3.960 -0.001 0.000 0.220 651 G C 1.096 176.046 174.900 0.082 0.000 1.145 651 G CA 0.897 46.042 45.100 0.074 0.000 0.761 651 G HN 0.286 nan 8.290 nan 0.000 0.571 652 D N 0.379 120.805 120.400 0.045 0.000 2.265 652 D HA -0.064 4.575 4.640 -0.001 0.000 0.208 652 D C 2.219 178.549 176.300 0.050 0.000 0.977 652 D CA 0.815 54.839 54.000 0.040 0.000 0.871 652 D CB -0.013 40.797 40.800 0.017 0.000 0.925 652 D HN 0.382 nan 8.370 nan 0.000 0.485 653 K N -0.169 120.256 120.400 0.042 0.000 2.426 653 K HA 0.028 4.347 4.320 -0.001 0.000 0.193 653 K C 0.251 176.869 176.600 0.030 0.000 1.028 653 K CA -0.343 55.961 56.287 0.029 0.000 1.047 653 K CB 0.557 33.063 32.500 0.011 0.000 0.821 653 K HN -0.022 nan 8.250 nan 0.000 0.513 654 L N 3.442 124.701 121.223 0.060 0.000 2.410 654 L HA 0.105 4.444 4.340 -0.001 0.000 0.273 654 L C -1.911 175.024 176.870 0.108 0.000 1.144 654 L CA -1.957 52.907 54.840 0.040 0.000 0.863 654 L CB 0.183 42.285 42.059 0.071 0.000 1.140 654 L HN 0.012 nan 8.230 nan 0.000 0.463 655 P HA 0.056 nan 4.420 nan 0.000 0.276 655 P C 0.931 178.307 177.300 0.127 0.000 1.252 655 P CA -0.418 62.721 63.100 0.065 0.000 0.802 655 P CB 1.194 32.899 31.700 0.009 0.000 1.035 656 V N 0.287 120.295 119.914 0.156 0.000 2.867 656 V HA -0.178 3.942 4.120 -0.001 0.000 0.260 656 V C 2.022 178.210 176.094 0.156 0.000 1.099 656 V CA 2.476 64.917 62.300 0.235 0.000 1.122 656 V CB -1.667 30.238 31.823 0.137 0.000 0.708 656 V HN 0.704 nan 8.190 nan 0.000 0.490 657 S N 0.703 116.427 115.700 0.040 0.000 2.474 657 S HA 0.136 4.606 4.470 -0.001 0.000 0.235 657 S C 1.921 176.463 174.600 -0.096 0.000 0.997 657 S CA 0.989 59.182 58.200 -0.011 0.000 0.949 657 S CB -0.474 62.711 63.200 -0.025 0.000 0.766 657 S HN 1.128 nan 8.310 nan 0.000 0.517 658 A N 0.107 122.779 122.820 -0.247 0.000 2.206 658 A HA 0.443 4.762 4.320 -0.001 0.000 0.211 658 A C 0.319 177.478 177.584 -0.708 0.000 1.158 658 A CA -0.010 51.705 52.037 -0.537 0.000 0.761 658 A CB -0.393 18.136 19.000 -0.786 0.000 0.801 658 A HN 0.528 nan 8.150 nan 0.000 0.473 659 F N -0.443 119.516 119.950 0.016 0.000 2.523 659 F HA 0.460 4.987 4.527 -0.001 0.000 0.329 659 F C 0.395 176.214 175.800 0.031 0.000 1.061 659 F CA -1.132 56.889 58.000 0.034 0.000 0.967 659 F CB 0.915 39.956 39.000 0.068 0.000 1.218 659 F HN -0.115 nan 8.300 nan 0.000 0.480 660 E N 0.770 121.117 120.200 0.244 0.000 2.316 660 E HA 0.211 4.560 4.350 -0.001 0.000 0.275 660 E C 0.722 177.420 176.600 0.162 0.000 1.029 660 E CA 0.022 56.513 56.400 0.152 0.000 0.871 660 E CB 1.570 31.345 29.700 0.125 0.000 1.022 660 E HN 0.773 nan 8.360 nan 0.000 0.418 661 A N 3.986 126.871 122.820 0.108 0.000 1.948 661 A HA -0.230 4.089 4.320 -0.001 0.000 0.220 661 A C 1.269 178.914 177.584 0.101 0.000 1.177 661 A CA 2.089 54.175 52.037 0.082 0.000 0.636 661 A CB -0.270 18.764 19.000 0.056 0.000 0.815 661 A HN 0.590 nan 8.150 nan 0.000 0.449 662 D N -2.161 118.314 120.400 0.124 0.000 2.336 662 D HA 0.307 4.946 4.640 -0.001 0.000 0.228 662 D C 1.094 177.523 176.300 0.215 0.000 1.120 662 D CA 0.674 54.763 54.000 0.148 0.000 0.839 662 D CB -0.787 40.083 40.800 0.117 0.000 0.932 662 D HN 0.747 nan 8.370 nan 0.000 0.509 663 G N 1.353 110.318 108.800 0.274 0.000 2.196 663 G HA2 -0.399 3.560 3.960 -0.001 0.000 0.268 663 G HA3 -0.399 3.560 3.960 -0.001 0.000 0.268 663 G C 0.432 175.569 174.900 0.395 0.000 0.975 663 G CA 0.414 45.745 45.100 0.385 0.000 0.648 663 G HN 0.788 nan 8.290 nan 0.000 0.538 664 R N -1.182 119.500 120.500 0.302 0.000 2.694 664 R HA 0.635 4.974 4.340 -0.001 0.000 0.268 664 R C -0.663 175.865 176.300 0.381 0.000 1.061 664 R CA -0.180 56.102 56.100 0.303 0.000 1.133 664 R CB 0.468 30.873 30.300 0.176 0.000 1.020 664 R HN 0.080 nan 8.270 nan 0.000 0.475 665 F N 0.927 120.940 119.950 0.105 0.000 2.577 665 F HA 0.497 5.023 4.527 -0.001 0.000 0.318 665 F C -1.810 173.966 175.800 -0.040 0.000 1.065 665 F CA -2.474 55.567 58.000 0.068 0.000 0.929 665 F CB 1.837 40.928 39.000 0.151 0.000 1.237 665 F HN 0.608 nan 8.300 nan 0.000 0.468 666 P HA 0.336 nan 4.420 nan 0.000 0.276 666 P C -0.978 176.348 177.300 0.042 0.000 1.244 666 P CA -0.390 62.624 63.100 -0.142 0.000 0.801 666 P CB 1.306 32.743 31.700 -0.438 0.000 1.006 667 L N 0.737 121.992 121.223 0.053 0.000 2.453 667 L HA 0.371 4.711 4.340 -0.001 0.000 0.261 667 L C 1.688 178.635 176.870 0.128 0.000 1.179 667 L CA 1.470 56.371 54.840 0.101 0.000 0.813 667 L CB -0.415 41.693 42.059 0.080 0.000 1.110 667 L HN 0.857 nan 8.230 nan 0.000 0.466 668 G N 0.088 108.969 108.800 0.135 0.000 2.203 668 G HA2 -0.348 3.611 3.960 -0.001 0.000 0.263 668 G HA3 -0.348 3.611 3.960 -0.001 0.000 0.263 668 G C 0.847 175.881 174.900 0.223 0.000 1.012 668 G CA 0.829 46.005 45.100 0.127 0.000 0.749 668 G HN 0.872 nan 8.290 nan 0.000 0.512 669 T N -1.888 112.865 114.554 0.332 0.000 3.113 669 T HA 0.093 4.442 4.350 -0.001 0.000 0.263 669 T C 2.468 177.450 174.700 0.469 0.000 1.143 669 T CA 1.728 64.143 62.100 0.525 0.000 1.090 669 T CB -0.194 69.058 68.868 0.641 0.000 0.922 669 T HN 1.278 nan 8.240 nan 0.000 0.521 670 S N 0.736 116.613 115.700 0.295 0.000 2.522 670 S HA -0.036 4.433 4.470 -0.001 0.000 0.227 670 S C 1.986 176.712 174.600 0.210 0.000 0.986 670 S CA -0.150 58.218 58.200 0.280 0.000 0.929 670 S CB -0.378 62.971 63.200 0.248 0.000 0.769 670 S HN 0.354 nan 8.310 nan 0.000 0.529 671 Q N 0.715 120.509 119.800 -0.009 0.000 2.181 671 Q HA -0.043 4.296 4.340 -0.001 0.000 0.205 671 Q C 0.896 176.508 176.000 -0.647 0.000 0.980 671 Q CA 1.331 56.937 55.803 -0.329 0.000 0.862 671 Q CB -0.504 27.747 28.738 -0.813 0.000 0.905 671 Q HN 0.830 nan 8.270 nan 0.000 0.429 672 F N -0.295 119.527 119.950 -0.213 0.000 2.695 672 F HA 0.191 4.717 4.527 -0.001 0.000 0.303 672 F C 1.854 177.485 175.800 -0.282 0.000 1.091 672 F CA -0.225 57.484 58.000 -0.485 0.000 1.300 672 F CB 0.171 38.436 39.000 -1.226 0.000 1.071 672 F HN 0.007 nan 8.300 nan 0.000 0.578 673 E N 0.823 121.084 120.200 0.102 0.000 2.072 673 E HA -0.109 4.240 4.350 -0.001 0.000 0.191 673 E C 0.427 177.083 176.600 0.095 0.000 0.985 673 E CA 0.431 56.970 56.400 0.231 0.000 0.801 673 E CB 0.013 29.864 29.700 0.251 0.000 0.750 673 E HN -0.000 nan 8.360 nan 0.000 0.452 674 K N 0.978 121.347 120.400 -0.052 0.000 4.166 674 K HA -0.269 4.050 4.320 -0.001 0.000 0.276 674 K C 0.406 176.994 176.600 -0.021 0.000 0.808 674 K CA 0.545 56.767 56.287 -0.109 0.000 0.717 674 K CB -0.938 31.503 32.500 -0.099 0.000 1.774 674 K HN 0.302 nan 8.250 nan 0.000 0.427 675 R N 0.233 120.733 120.500 -0.000 0.000 2.115 675 R HA -0.081 4.258 4.340 -0.001 0.000 0.230 675 R C 1.347 177.669 176.300 0.036 0.000 1.111 675 R CA 0.905 57.034 56.100 0.048 0.000 0.976 675 R CB 0.007 30.353 30.300 0.076 0.000 0.870 675 R HN 0.714 nan 8.270 nan 0.000 0.445 676 G N 1.082 109.880 108.800 -0.005 0.000 2.350 676 G HA2 -0.220 3.739 3.960 -0.001 0.000 0.298 676 G HA3 -0.220 3.739 3.960 -0.001 0.000 0.298 676 G C 0.506 175.422 174.900 0.027 0.000 1.037 676 G CA 0.447 45.547 45.100 0.001 0.000 1.074 676 G HN 0.347 nan 8.290 nan 0.000 0.511 677 V N -3.253 116.675 119.914 0.023 0.000 3.621 677 V HA 0.736 4.855 4.120 -0.001 0.000 0.285 677 V C 1.459 177.565 176.094 0.018 0.000 1.346 677 V CA 0.672 62.998 62.300 0.043 0.000 1.104 677 V CB -0.046 31.817 31.823 0.067 0.000 0.913 677 V HN 1.599 nan 8.190 nan 0.000 0.432 678 A N 0.337 123.153 122.820 -0.006 0.000 2.425 678 A HA 0.622 4.941 4.320 -0.001 0.000 0.249 678 A C 0.934 178.520 177.584 0.003 0.000 1.084 678 A CA -0.109 51.920 52.037 -0.013 0.000 0.781 678 A CB 0.406 19.388 19.000 -0.030 0.000 1.019 678 A HN 0.266 nan 8.150 nan 0.000 0.490 679 I N 1.167 121.740 120.570 0.005 0.000 2.277 679 I HA -0.049 4.120 4.170 -0.001 0.000 0.243 679 I C 0.550 176.673 176.117 0.009 0.000 1.094 679 I CA 1.097 62.404 61.300 0.010 0.000 1.393 679 I CB -0.173 37.833 38.000 0.010 0.000 1.078 679 I HN 0.583 nan 8.210 nan 0.000 0.417 680 N N 0.280 118.983 118.700 0.006 0.000 2.258 680 N HA 0.536 5.275 4.740 -0.001 0.000 0.299 680 N C -1.015 174.498 175.510 0.005 0.000 1.047 680 N CA -0.348 52.707 53.050 0.008 0.000 0.814 680 N CB 2.900 41.393 38.487 0.010 0.000 1.413 680 N HN -0.098 nan 8.380 nan 0.000 0.478 681 V N -0.895 119.024 119.914 0.009 0.000 2.864 681 V HA 0.742 4.861 4.120 -0.001 0.000 0.314 681 V C -2.573 173.533 176.094 0.021 0.000 1.073 681 V CA -2.374 59.931 62.300 0.008 0.000 0.956 681 V CB 2.372 34.197 31.823 0.003 0.000 1.023 681 V HN 0.450 nan 8.190 nan 0.000 0.435 682 P HA 0.196 nan 4.420 nan 0.000 0.271 682 P C -1.243 176.095 177.300 0.063 0.000 1.218 682 P CA 0.014 63.141 63.100 0.045 0.000 0.780 682 P CB 0.932 32.660 31.700 0.047 0.000 0.901 683 Q N 2.825 122.674 119.800 0.081 0.000 2.341 683 Q HA 0.236 4.576 4.340 -0.001 0.000 0.268 683 Q C -1.346 174.756 176.000 0.169 0.000 1.013 683 Q CA -0.829 55.035 55.803 0.102 0.000 0.798 683 Q CB 0.881 29.657 28.738 0.063 0.000 1.253 683 Q HN 0.393 nan 8.270 nan 0.000 0.457 684 W N 4.701 125.989 121.300 -0.020 0.000 2.216 684 W HA 0.304 4.964 4.660 -0.001 0.000 0.326 684 W C -1.075 175.435 176.519 -0.015 0.000 1.319 684 W CA -0.227 57.106 57.345 -0.020 0.000 1.213 684 W CB 0.837 30.270 29.460 -0.045 0.000 1.171 684 W HN 0.395 nan 8.180 nan 0.000 0.557 685 V N 10.255 129.954 119.914 -0.359 0.000 2.266 685 V HA 0.121 4.240 4.120 -0.001 0.000 0.266 685 V C -1.078 174.553 176.094 -0.772 0.000 1.036 685 V CA -1.217 60.831 62.300 -0.421 0.000 0.828 685 V CB 1.101 32.812 31.823 -0.186 0.000 1.081 685 V HN 0.532 nan 8.190 nan 0.000 0.449 686 P HA -0.176 nan 4.420 nan 0.000 0.222 686 P C 0.857 177.860 177.300 -0.496 0.000 1.142 686 P CA 1.165 63.513 63.100 -1.253 0.000 0.788 686 P CB 0.600 31.546 31.700 -1.257 0.000 0.767 687 E N 0.067 120.061 120.200 -0.343 0.000 2.274 687 E HA -0.085 4.264 4.350 -0.001 0.000 0.194 687 E C 1.287 177.814 176.600 -0.122 0.000 0.996 687 E CA 1.023 57.316 56.400 -0.179 0.000 0.840 687 E CB -0.633 28.985 29.700 -0.137 0.000 0.772 687 E HN 0.506 nan 8.360 nan 0.000 0.491 688 N N -0.990 117.629 118.700 -0.134 0.000 2.184 688 N HA 0.094 4.833 4.740 -0.001 0.000 0.206 688 N C -0.563 174.943 175.510 -0.006 0.000 1.151 688 N CA -0.264 52.751 53.050 -0.059 0.000 0.878 688 N CB 0.711 39.169 38.487 -0.048 0.000 1.014 688 N HN 0.017 nan 8.380 nan 0.000 0.512 689 C N 2.165 121.468 119.300 0.005 0.000 2.629 689 C HA 0.225 4.684 4.460 -0.001 0.000 0.410 689 C C 1.756 176.835 174.990 0.149 0.000 1.339 689 C CA -0.668 58.459 59.018 0.183 0.000 1.810 689 C CB -1.203 26.822 27.740 0.474 0.000 2.549 689 C HN 0.522 nan 8.230 nan 0.000 0.589 690 I N 2.371 123.008 120.570 0.111 0.000 3.861 690 I HA 0.207 4.376 4.170 -0.001 0.000 0.329 690 I C 0.729 176.832 176.117 -0.024 0.000 1.321 690 I CA 0.033 61.354 61.300 0.036 0.000 1.126 690 I CB -0.715 37.291 38.000 0.011 0.000 1.018 690 I HN 0.848 nan 8.210 nan 0.000 0.407 691 Q N 1.005 120.808 119.800 0.005 0.000 2.453 691 Q HA -0.224 4.115 4.340 -0.001 0.000 0.330 691 Q C 1.123 176.962 176.000 -0.269 0.000 1.417 691 Q CA 0.565 56.171 55.803 -0.327 0.000 0.902 691 Q CB -1.939 26.333 28.738 -0.777 0.000 1.154 691 Q HN 0.940 nan 8.270 nan 0.000 0.395 692 C N -2.546 116.700 119.300 -0.090 0.000 2.700 692 C HA 0.232 4.691 4.460 -0.001 0.000 0.297 692 C C 1.090 176.016 174.990 -0.106 0.000 1.293 692 C CA 0.594 59.552 59.018 -0.100 0.000 1.756 692 C CB -0.270 27.434 27.740 -0.060 0.000 2.210 692 C HN 0.903 nan 8.230 nan 0.000 0.553 693 N N 0.369 119.052 118.700 -0.030 0.000 2.850 693 N HA -0.219 4.520 4.740 -0.001 0.000 0.249 693 N C 0.828 176.328 175.510 -0.017 0.000 1.060 693 N CA 0.886 53.914 53.050 -0.036 0.000 0.825 693 N CB -1.037 37.341 38.487 -0.180 0.000 1.132 693 N HN 0.729 nan 8.380 nan 0.000 0.564 694 Q N -0.190 119.598 119.800 -0.019 0.000 2.123 694 Q HA -0.131 4.208 4.340 -0.001 0.000 0.199 694 Q C 2.574 178.611 176.000 0.061 0.000 0.966 694 Q CA 1.813 57.611 55.803 -0.009 0.000 0.845 694 Q CB -0.019 28.695 28.738 -0.041 0.000 0.907 694 Q HN 0.803 nan 8.270 nan 0.000 0.439 695 C N -0.147 119.181 119.300 0.046 0.000 2.413 695 C HA -0.020 4.439 4.460 -0.001 0.000 0.276 695 C C 2.763 177.775 174.990 0.035 0.000 1.236 695 C CA 0.581 59.623 59.018 0.040 0.000 1.735 695 C CB -1.386 26.372 27.740 0.029 0.000 2.031 695 C HN 0.459 nan 8.230 nan 0.000 0.474 696 A N -0.049 122.786 122.820 0.024 0.000 1.930 696 A HA -0.027 4.292 4.320 -0.001 0.000 0.217 696 A C 1.997 179.596 177.584 0.024 0.000 1.175 696 A CA 1.524 53.562 52.037 0.001 0.000 0.627 696 A CB -1.023 17.960 19.000 -0.028 0.000 0.815 696 A HN 0.623 nan 8.150 nan 0.000 0.443 697 F N 0.075 119.977 119.950 -0.080 0.000 2.171 697 F HA -0.127 4.399 4.527 -0.001 0.000 0.300 697 F C 2.131 177.882 175.800 -0.082 0.000 1.090 697 F CA 1.815 59.771 58.000 -0.074 0.000 1.293 697 F CB 0.110 39.075 39.000 -0.059 0.000 1.013 697 F HN 0.044 nan 8.300 nan 0.000 0.486 698 V N -0.893 119.103 119.914 0.137 0.000 3.129 698 V HA -0.102 4.018 4.120 -0.001 0.000 0.259 698 V C 1.036 177.101 176.094 -0.049 0.000 1.116 698 V CA 0.355 62.675 62.300 0.033 0.000 1.127 698 V CB -0.466 31.393 31.823 0.060 0.000 0.742 698 V HN 0.395 nan 8.190 nan 0.000 0.474 699 C N 2.862 122.135 119.300 -0.045 0.000 2.638 699 C HA 0.138 4.597 4.460 -0.001 0.000 0.410 699 C C -0.577 174.362 174.990 -0.085 0.000 1.404 699 C CA -0.911 58.084 59.018 -0.037 0.000 1.651 699 C CB 0.287 28.020 27.740 -0.012 0.000 2.495 699 C HN 0.343 nan 8.230 nan 0.000 0.606 700 P HA 0.056 nan 4.420 nan 0.000 0.242 700 P C -0.084 176.998 177.300 -0.363 0.000 1.197 700 P CA 1.253 64.256 63.100 -0.162 0.000 0.765 700 P CB 0.020 31.703 31.700 -0.027 0.000 0.936 701 H N -3.834 115.160 119.070 -0.127 0.000 3.650 701 H HA 0.273 4.828 4.556 -0.001 0.000 0.260 701 H C 0.561 175.870 175.328 -0.032 0.000 1.194 701 H CA -0.010 55.994 56.048 -0.074 0.000 1.135 701 H CB 0.144 29.924 29.762 0.029 0.000 1.612 701 H HN -0.222 nan 8.280 nan 0.000 0.703 702 S N -0.045 115.648 115.700 -0.011 0.000 3.586 702 S HA -0.243 4.226 4.470 -0.001 0.000 0.309 702 S C 1.415 176.111 174.600 0.160 0.000 1.195 702 S CA 0.533 58.706 58.200 -0.045 0.000 0.895 702 S CB -1.474 61.559 63.200 -0.277 0.000 0.983 702 S HN 0.684 nan 8.310 nan 0.000 0.563 703 A N -0.081 122.849 122.820 0.184 0.000 2.235 703 A HA 0.420 4.740 4.320 -0.001 0.000 0.208 703 A C 0.658 178.277 177.584 0.058 0.000 1.172 703 A CA 0.531 52.664 52.037 0.159 0.000 0.786 703 A CB -0.079 18.975 19.000 0.091 0.000 0.804 703 A HN 0.668 nan 8.150 nan 0.000 0.479 704 I N 0.702 121.286 120.570 0.023 0.000 2.382 704 I HA 0.276 4.446 4.170 -0.001 0.000 0.286 704 I C -1.065 175.020 176.117 -0.052 0.000 1.002 704 I CA -0.750 60.529 61.300 -0.037 0.000 1.135 704 I CB 1.872 39.841 38.000 -0.052 0.000 1.288 704 I HN 0.074 nan 8.210 nan 0.000 0.448 705 L N 10.182 131.360 121.223 -0.074 0.000 2.277 705 L HA 0.607 4.946 4.340 -0.001 0.000 0.284 705 L C -2.559 174.229 176.870 -0.135 0.000 1.028 705 L CA -1.911 52.889 54.840 -0.067 0.000 0.835 705 L CB 0.697 42.741 42.059 -0.024 0.000 1.215 705 L HN 0.222 nan 8.230 nan 0.000 0.425 706 P HA 0.207 nan 4.420 nan 0.000 0.271 706 P C -1.218 176.044 177.300 -0.065 0.000 1.216 706 P CA -0.100 62.922 63.100 -0.130 0.000 0.776 706 P CB 1.097 32.837 31.700 0.066 0.000 0.881 707 V N 4.677 124.448 119.914 -0.239 0.000 2.487 707 V HA 0.407 4.526 4.120 -0.001 0.000 0.298 707 V C -0.422 175.635 176.094 -0.063 0.000 1.028 707 V CA -0.488 61.750 62.300 -0.103 0.000 0.860 707 V CB 1.734 33.515 31.823 -0.070 0.000 0.991 707 V HN 0.319 nan 8.190 nan 0.000 0.427 708 L N 4.901 126.111 121.223 -0.021 0.000 2.427 708 L HA 0.886 5.226 4.340 -0.001 0.000 0.264 708 L C -0.071 176.837 176.870 0.064 0.000 0.989 708 L CA -0.025 54.795 54.840 -0.033 0.000 0.865 708 L CB 1.058 42.828 42.059 -0.482 0.000 1.209 708 L HN 0.805 nan 8.230 nan 0.000 0.430 709 A N 4.566 127.511 122.820 0.209 0.000 2.423 709 A HA 0.833 5.152 4.320 -0.001 0.000 0.304 709 A C -1.093 176.636 177.584 0.243 0.000 1.104 709 A CA -0.798 51.375 52.037 0.228 0.000 0.757 709 A CB 1.436 20.542 19.000 0.178 0.000 1.313 709 A HN 0.476 nan 8.150 nan 0.000 0.423 710 K N 1.231 121.704 120.400 0.121 0.000 2.211 710 K HA 0.228 4.547 4.320 -0.001 0.000 0.275 710 K C 0.498 177.104 176.600 0.010 0.000 1.024 710 K CA 0.144 56.404 56.287 -0.046 0.000 0.887 710 K CB 1.649 34.039 32.500 -0.182 0.000 1.084 710 K HN 0.918 nan 8.250 nan 0.000 0.463 711 E N 2.223 122.431 120.200 0.013 0.000 2.332 711 E HA -0.347 4.003 4.350 -0.001 0.000 0.223 711 E C 0.594 177.214 176.600 0.033 0.000 1.095 711 E CA 1.818 58.240 56.400 0.036 0.000 0.897 711 E CB -0.211 29.499 29.700 0.017 0.000 0.763 711 E HN 0.643 nan 8.360 nan 0.000 0.464 712 E N 0.840 121.048 120.200 0.012 0.000 2.153 712 E HA -0.157 4.192 4.350 -0.001 0.000 0.194 712 E C 1.778 178.396 176.600 0.029 0.000 0.988 712 E CA 1.264 57.672 56.400 0.013 0.000 0.811 712 E CB -0.117 29.581 29.700 -0.003 0.000 0.746 712 E HN 0.595 nan 8.360 nan 0.000 0.466 713 E N -0.124 120.100 120.200 0.040 0.000 2.427 713 E HA -0.055 4.294 4.350 -0.001 0.000 0.196 713 E C 0.920 177.581 176.600 0.101 0.000 1.028 713 E CA 0.129 56.555 56.400 0.044 0.000 0.864 713 E CB 0.174 29.893 29.700 0.033 0.000 0.813 713 E HN 0.057 nan 8.360 nan 0.000 0.514 714 L N -0.280 121.014 121.223 0.118 0.000 2.667 714 L HA 0.019 4.359 4.340 -0.001 0.000 0.232 714 L C 1.621 178.530 176.870 0.065 0.000 1.138 714 L CA 0.292 55.216 54.840 0.139 0.000 0.921 714 L CB 0.149 42.305 42.059 0.161 0.000 1.180 714 L HN -0.041 nan 8.230 nan 0.000 0.487 715 V N 0.697 120.648 119.914 0.062 0.000 2.233 715 V HA -0.296 3.823 4.120 -0.001 0.000 0.252 715 V C 2.059 178.147 176.094 -0.011 0.000 1.063 715 V CA 2.314 64.629 62.300 0.026 0.000 1.032 715 V CB -1.035 30.805 31.823 0.028 0.000 0.645 715 V HN 0.587 nan 8.190 nan 0.000 0.446 716 G N -0.888 107.915 108.800 0.004 0.000 3.448 716 G HA2 0.461 4.420 3.960 -0.001 0.000 0.261 716 G HA3 0.461 4.420 3.960 -0.001 0.000 0.261 716 G C 0.338 175.022 174.900 -0.359 0.000 1.173 716 G CA 0.450 45.505 45.100 -0.075 0.000 0.835 716 G HN 0.654 nan 8.290 nan 0.000 0.534 717 A N 1.007 123.507 122.820 -0.533 0.000 2.425 717 A HA 0.608 4.927 4.320 -0.001 0.000 0.249 717 A C -1.780 175.449 177.584 -0.591 0.000 1.084 717 A CA -0.911 50.432 52.037 -1.158 0.000 0.781 717 A CB 0.302 18.846 19.000 -0.760 0.000 1.019 717 A HN 0.228 nan 8.150 nan 0.000 0.490 718 P HA 0.078 nan 4.420 nan 0.000 0.269 718 P C 1.003 178.263 177.300 -0.066 0.000 1.205 718 P CA 0.746 63.724 63.100 -0.205 0.000 0.780 718 P CB 0.503 32.142 31.700 -0.101 0.000 0.858 719 A N 2.518 125.321 122.820 -0.028 0.000 1.940 719 A HA -0.204 4.115 4.320 -0.001 0.000 0.219 719 A C 1.375 178.988 177.584 0.048 0.000 1.176 719 A CA 1.903 53.944 52.037 0.006 0.000 0.631 719 A CB -1.334 17.667 19.000 0.001 0.000 0.814 719 A HN 0.814 nan 8.150 nan 0.000 0.446 720 N N -2.011 116.728 118.700 0.065 0.000 2.346 720 N HA 0.105 4.844 4.740 -0.001 0.000 0.225 720 N C -0.149 175.446 175.510 0.142 0.000 1.144 720 N CA -0.295 52.805 53.050 0.083 0.000 0.837 720 N CB -0.076 38.448 38.487 0.062 0.000 1.069 720 N HN 0.293 nan 8.380 nan 0.000 0.487 721 F N 2.707 122.659 119.950 0.003 0.000 2.752 721 F HA 0.190 4.716 4.527 -0.001 0.000 0.332 721 F C 0.180 176.030 175.800 0.084 0.000 1.188 721 F CA -0.463 57.560 58.000 0.037 0.000 1.296 721 F CB -0.542 38.447 39.000 -0.018 0.000 1.526 721 F HN -0.103 nan 8.300 nan 0.000 0.576 722 T N 2.466 117.053 114.554 0.055 0.000 2.905 722 T HA 0.379 4.729 4.350 -0.001 0.000 0.299 722 T C 0.115 174.880 174.700 0.108 0.000 1.024 722 T CA 0.302 62.445 62.100 0.071 0.000 1.151 722 T CB 0.494 69.379 68.868 0.028 0.000 0.987 722 T HN 0.518 nan 8.240 nan 0.000 0.535 723 A N 3.901 126.810 122.820 0.147 0.000 2.408 723 A HA 0.643 4.962 4.320 -0.001 0.000 0.295 723 A C -0.242 177.474 177.584 0.221 0.000 1.040 723 A CA -0.873 51.289 52.037 0.207 0.000 0.707 723 A CB 0.900 20.012 19.000 0.187 0.000 1.235 723 A HN 0.787 nan 8.150 nan 0.000 0.418 724 L N 1.366 122.776 121.223 0.312 0.000 2.475 724 L HA 0.320 4.659 4.340 -0.001 0.000 0.253 724 L C 1.009 178.029 176.870 0.251 0.000 1.198 724 L CA -0.549 54.444 54.840 0.256 0.000 0.814 724 L CB 0.548 42.798 42.059 0.318 0.000 1.134 724 L HN 0.849 nan 8.230 nan 0.000 0.478 725 E N 0.989 121.296 120.200 0.178 0.000 2.223 725 E HA 0.429 4.778 4.350 -0.001 0.000 0.282 725 E C -0.544 176.158 176.600 0.170 0.000 1.046 725 E CA -0.840 55.656 56.400 0.159 0.000 0.857 725 E CB 1.227 30.989 29.700 0.103 0.000 1.055 725 E HN 0.585 nan 8.360 nan 0.000 0.409 726 A N 4.758 127.702 122.820 0.206 0.000 2.566 726 A HA -0.027 4.293 4.320 -0.001 0.000 0.245 726 A C 0.034 177.666 177.584 0.080 0.000 1.056 726 A CA 0.177 52.315 52.037 0.169 0.000 0.757 726 A CB -0.001 19.138 19.000 0.232 0.000 0.979 726 A HN 0.661 nan 8.150 nan 0.000 0.508 727 K N 1.309 121.709 120.400 0.000 0.000 2.154 727 K HA 0.559 4.878 4.320 -0.001 0.000 0.264 727 K C 0.476 177.072 176.600 -0.006 0.000 1.008 727 K CA 0.639 56.919 56.287 -0.012 0.000 0.937 727 K CB 0.981 33.449 32.500 -0.055 0.000 1.002 727 K HN 1.568 nan 8.250 nan 0.000 0.469 728 G N 1.671 110.475 108.800 0.007 0.000 3.067 728 G HA2 -0.158 3.801 3.960 -0.001 0.000 0.686 728 G HA3 -0.158 3.801 3.960 -0.001 0.000 0.686 728 G C 0.243 175.164 174.900 0.036 0.000 1.119 728 G CA -0.421 44.688 45.100 0.015 0.000 0.790 728 G HN 0.573 nan 8.290 nan 0.000 0.605 729 K N 1.013 121.431 120.400 0.031 0.000 2.211 729 K HA -0.129 4.190 4.320 -0.001 0.000 0.204 729 K C 1.736 178.367 176.600 0.052 0.000 1.047 729 K CA 2.509 58.818 56.287 0.037 0.000 0.935 729 K CB -0.025 32.491 32.500 0.027 0.000 0.728 729 K HN 0.617 nan 8.250 nan 0.000 0.452 730 E N 0.416 120.647 120.200 0.052 0.000 2.371 730 E HA 0.072 4.421 4.350 -0.001 0.000 0.194 730 E C 0.376 177.036 176.600 0.099 0.000 1.012 730 E CA 0.404 56.842 56.400 0.063 0.000 0.860 730 E CB 0.087 29.812 29.700 0.042 0.000 0.811 730 E HN 0.265 nan 8.360 nan 0.000 0.502 731 L N 0.892 122.181 121.223 0.111 0.000 2.825 731 L HA 0.398 4.737 4.340 -0.001 0.000 0.236 731 L C 1.179 178.197 176.870 0.246 0.000 1.301 731 L CA -0.350 54.615 54.840 0.207 0.000 0.977 731 L CB 0.574 42.679 42.059 0.078 0.000 1.300 731 L HN -0.048 nan 8.230 nan 0.000 0.486 732 K N 1.716 122.238 120.400 0.204 0.000 1.975 732 K HA -0.011 4.309 4.320 -0.001 0.000 0.210 732 K C 1.827 178.473 176.600 0.077 0.000 1.041 732 K CA 1.383 57.736 56.287 0.110 0.000 0.942 732 K CB -0.037 32.501 32.500 0.062 0.000 0.729 732 K HN 0.527 nan 8.250 nan 0.000 0.439 733 G N -0.241 108.546 108.800 -0.022 0.000 2.776 733 G HA2 -0.058 3.901 3.960 -0.001 0.000 0.209 733 G HA3 -0.058 3.901 3.960 -0.001 0.000 0.209 733 G C -0.169 174.630 174.900 -0.169 0.000 1.145 733 G CA 0.069 45.095 45.100 -0.124 0.000 0.791 733 G HN 0.166 nan 8.290 nan 0.000 0.530 734 Y N 0.510 120.833 120.300 0.038 0.000 2.301 734 Y HA 0.413 4.962 4.550 -0.001 0.000 0.328 734 Y C 0.760 176.718 175.900 0.098 0.000 1.242 734 Y CA -0.439 57.692 58.100 0.051 0.000 1.323 734 Y CB 1.038 39.513 38.460 0.026 0.000 1.266 734 Y HN -0.221 nan 8.280 nan 0.000 0.527 735 K N 2.314 122.892 120.400 0.296 0.000 2.164 735 K HA 0.363 4.682 4.320 -0.001 0.000 0.258 735 K C -1.466 175.335 176.600 0.334 0.000 0.951 735 K CA -0.722 55.726 56.287 0.268 0.000 0.844 735 K CB 2.062 34.691 32.500 0.215 0.000 1.099 735 K HN 0.551 nan 8.250 nan 0.000 0.435 736 F N 1.795 121.848 119.950 0.173 0.000 2.508 736 F HA 0.535 5.062 4.527 -0.001 0.000 0.325 736 F C -0.381 175.508 175.800 0.148 0.000 1.090 736 F CA -0.770 57.324 58.000 0.157 0.000 0.945 736 F CB 1.567 40.676 39.000 0.182 0.000 1.156 736 F HN 0.483 nan 8.300 nan 0.000 0.463 737 R N 6.364 126.319 120.500 -0.908 0.000 2.561 737 R HA 0.431 4.770 4.340 -0.001 0.000 0.266 737 R C -2.277 173.155 176.300 -1.448 0.000 1.091 737 R CA -0.677 54.843 56.100 -0.966 0.000 0.927 737 R CB 1.332 31.296 30.300 -0.560 0.000 1.240 737 R HN 0.631 nan 8.270 nan 0.000 0.449 738 I N 4.319 123.646 120.570 -2.072 0.000 2.310 738 I HA 0.164 4.334 4.170 -0.001 0.000 0.287 738 I C -0.128 175.398 176.117 -0.985 0.000 1.073 738 I CA -0.339 60.059 61.300 -1.503 0.000 1.216 738 I CB 0.919 37.836 38.000 -1.806 0.000 1.415 738 I HN 0.596 nan 8.210 nan 0.000 0.480 739 Q N 6.321 125.782 119.800 -0.565 0.000 2.279 739 Q HA 0.366 4.705 4.340 -0.001 0.000 0.256 739 Q C -0.785 175.108 176.000 -0.178 0.000 0.937 739 Q CA -0.187 55.433 55.803 -0.304 0.000 0.933 739 Q CB 0.993 29.632 28.738 -0.166 0.000 1.189 739 Q HN 0.360 nan 8.270 nan 0.000 0.417 740 I N 4.080 124.588 120.570 -0.103 0.000 2.365 740 I HA 0.178 4.348 4.170 -0.001 0.000 0.291 740 I C 0.164 176.266 176.117 -0.025 0.000 1.004 740 I CA -0.151 61.119 61.300 -0.050 0.000 1.311 740 I CB 0.953 38.946 38.000 -0.012 0.000 1.401 740 I HN 0.785 nan 8.210 nan 0.000 0.491 741 N N 4.037 122.722 118.700 -0.025 0.000 2.918 741 N HA 0.045 4.784 4.740 -0.001 0.000 0.247 741 N C 1.315 176.789 175.510 -0.060 0.000 1.117 741 N CA -0.121 52.903 53.050 -0.044 0.000 1.005 741 N CB 0.606 39.069 38.487 -0.040 0.000 1.297 741 N HN 0.716 nan 8.380 nan 0.000 0.513 742 T N 0.598 115.126 114.554 -0.043 0.000 2.833 742 T HA -0.149 4.200 4.350 -0.001 0.000 0.269 742 T C 1.673 176.337 174.700 -0.060 0.000 1.054 742 T CA 0.777 62.855 62.100 -0.037 0.000 1.135 742 T CB -0.135 68.726 68.868 -0.012 0.000 0.869 742 T HN 0.414 nan 8.240 nan 0.000 0.466 743 L N 0.495 121.664 121.223 -0.090 0.000 2.240 743 L HA 0.056 4.395 4.340 -0.001 0.000 0.211 743 L C 2.240 179.012 176.870 -0.163 0.000 1.106 743 L CA 1.134 55.910 54.840 -0.106 0.000 0.793 743 L CB -0.347 41.646 42.059 -0.110 0.000 0.927 743 L HN 0.223 nan 8.230 nan 0.000 0.446 744 D N -0.893 119.359 120.400 -0.247 0.000 2.346 744 D HA -0.012 4.627 4.640 -0.001 0.000 0.206 744 D C 0.814 177.029 176.300 -0.142 0.000 1.001 744 D CA 0.150 53.965 54.000 -0.309 0.000 0.871 744 D CB 0.112 40.460 40.800 -0.755 0.000 0.943 744 D HN 0.226 nan 8.370 nan 0.000 0.518 745 C N 1.312 120.550 119.300 -0.103 0.000 2.679 745 C HA 0.036 4.495 4.460 -0.001 0.000 0.417 745 C C 1.629 176.542 174.990 -0.128 0.000 1.302 745 C CA -0.115 58.855 59.018 -0.080 0.000 1.973 745 C CB -0.181 27.531 27.740 -0.046 0.000 2.715 745 C HN 0.193 nan 8.230 nan 0.000 0.628 746 M N 3.849 123.342 119.600 -0.179 0.000 2.333 746 M HA 0.205 4.685 4.480 -0.001 0.000 0.257 746 M C 1.630 177.873 176.300 -0.095 0.000 1.078 746 M CA 1.031 56.214 55.300 -0.195 0.000 1.005 746 M CB -0.840 31.527 32.600 -0.388 0.000 1.444 746 M HN 1.186 nan 8.290 nan 0.000 0.496 747 G N 1.470 110.234 108.800 -0.061 0.000 2.221 747 G HA2 -0.303 3.656 3.960 -0.001 0.000 0.265 747 G HA3 -0.303 3.656 3.960 -0.001 0.000 0.265 747 G C 0.956 175.847 174.900 -0.016 0.000 1.041 747 G CA 0.465 45.549 45.100 -0.027 0.000 0.807 747 G HN 0.646 nan 8.290 nan 0.000 0.502 748 C N -2.326 116.965 119.300 -0.016 0.000 2.466 748 C HA 0.522 4.981 4.460 -0.001 0.000 0.278 748 C C 2.593 177.588 174.990 0.009 0.000 1.288 748 C CA 1.492 60.510 59.018 -0.000 0.000 1.722 748 C CB -0.645 27.100 27.740 0.008 0.000 2.017 748 C HN 2.424 nan 8.230 nan 0.000 0.488 749 G N 0.909 109.716 108.800 0.011 0.000 2.179 749 G HA2 -0.274 3.685 3.960 -0.001 0.000 0.220 749 G HA3 -0.274 3.685 3.960 -0.001 0.000 0.220 749 G C 0.478 175.391 174.900 0.021 0.000 0.990 749 G CA 0.568 45.679 45.100 0.017 0.000 0.646 749 G HN 0.566 nan 8.290 nan 0.000 0.517 750 N N 0.092 118.804 118.700 0.020 0.000 2.084 750 N HA -0.135 4.604 4.740 -0.001 0.000 0.190 750 N C 2.705 178.230 175.510 0.025 0.000 1.030 750 N CA 2.645 55.708 53.050 0.021 0.000 0.849 750 N CB -0.488 38.008 38.487 0.014 0.000 1.012 750 N HN 0.942 nan 8.380 nan 0.000 0.423 751 C N 0.237 119.553 119.300 0.026 0.000 2.393 751 C HA 0.008 4.467 4.460 -0.001 0.000 0.276 751 C C 2.743 177.757 174.990 0.040 0.000 1.215 751 C CA 0.589 59.626 59.018 0.032 0.000 1.743 751 C CB -1.462 26.295 27.740 0.029 0.000 2.044 751 C HN 0.391 nan 8.230 nan 0.000 0.464 752 A N 1.288 124.132 122.820 0.041 0.000 1.902 752 A HA -0.206 4.113 4.320 -0.001 0.000 0.217 752 A C 1.928 179.535 177.584 0.037 0.000 1.181 752 A CA 2.356 54.420 52.037 0.045 0.000 0.623 752 A CB -1.085 17.940 19.000 0.041 0.000 0.818 752 A HN 0.704 nan 8.150 nan 0.000 0.443 753 D N -1.013 119.406 120.400 0.031 0.000 2.219 753 D HA -0.057 4.582 4.640 -0.001 0.000 0.205 753 D C 1.483 177.799 176.300 0.027 0.000 0.970 753 D CA 0.959 54.975 54.000 0.028 0.000 0.851 753 D CB -0.097 40.718 40.800 0.027 0.000 0.943 753 D HN 0.444 nan 8.370 nan 0.000 0.488 754 I N -0.321 120.265 120.570 0.028 0.000 3.941 754 I HA 0.089 4.259 4.170 -0.001 0.000 0.321 754 I C 0.174 176.304 176.117 0.022 0.000 1.284 754 I CA -0.265 61.048 61.300 0.022 0.000 1.226 754 I CB 0.286 38.298 38.000 0.021 0.000 1.045 754 I HN 0.089 nan 8.210 nan 0.000 0.420 755 C N 3.691 123.012 119.300 0.035 0.000 2.519 755 C HA -0.010 4.450 4.460 -0.001 0.000 0.402 755 C C -0.520 174.489 174.990 0.032 0.000 1.475 755 C CA -1.084 57.962 59.018 0.046 0.000 1.504 755 C CB 0.004 27.785 27.740 0.069 0.000 2.454 755 C HN 0.293 nan 8.230 nan 0.000 0.615 756 P HA -0.106 nan 4.420 nan 0.000 0.212 756 P C -1.718 175.589 177.300 0.011 0.000 1.174 756 P CA 1.558 64.663 63.100 0.009 0.000 0.934 756 P CB -1.200 30.500 31.700 0.000 0.000 0.791 757 P HA -0.080 nan 4.420 nan 0.000 0.264 757 P C 0.346 177.652 177.300 0.010 0.000 1.179 757 P CA 0.743 63.850 63.100 0.012 0.000 0.763 757 P CB 0.657 32.367 31.700 0.016 0.000 0.806 758 K N 1.268 121.671 120.400 0.005 0.000 2.097 758 K HA -0.113 4.206 4.320 -0.001 0.000 0.206 758 K C 0.978 177.581 176.600 0.004 0.000 1.049 758 K CA 1.172 57.462 56.287 0.004 0.000 0.933 758 K CB 0.008 32.509 32.500 0.001 0.000 0.717 758 K HN 0.612 nan 8.250 nan 0.000 0.442 759 E N 2.621 122.822 120.200 0.001 0.000 1.964 759 E HA 0.074 4.423 4.350 -0.001 0.000 0.264 759 E C -0.737 175.863 176.600 -0.000 0.000 1.120 759 E CA -0.241 56.157 56.400 -0.004 0.000 1.061 759 E CB 0.119 29.812 29.700 -0.011 0.000 1.190 759 E HN -0.130 nan 8.360 nan 0.000 0.459 760 K N 1.311 121.716 120.400 0.009 0.000 2.579 760 K HA -0.109 4.210 4.320 -0.001 0.000 0.277 760 K C 0.820 177.433 176.600 0.020 0.000 0.985 760 K CA 0.762 57.062 56.287 0.023 0.000 1.088 760 K CB 0.317 32.833 32.500 0.027 0.000 0.836 760 K HN 0.614 nan 8.250 nan 0.000 0.487 761 A N 3.882 126.734 122.820 0.053 0.000 2.238 761 A HA 0.157 4.477 4.320 -0.001 0.000 0.210 761 A C 0.547 178.212 177.584 0.135 0.000 1.179 761 A CA 0.282 52.353 52.037 0.057 0.000 0.827 761 A CB 0.289 19.377 19.000 0.146 0.000 0.856 761 A HN 0.530 nan 8.150 nan 0.000 0.488 762 L N 0.608 121.909 121.223 0.130 0.000 2.409 762 L HA 0.548 4.887 4.340 -0.001 0.000 0.272 762 L C -1.438 175.478 176.870 0.077 0.000 0.980 762 L CA -0.669 54.256 54.840 0.141 0.000 0.826 762 L CB 2.386 44.534 42.059 0.148 0.000 1.268 762 L HN -0.076 nan 8.230 nan 0.000 0.407 763 V N 3.650 123.603 119.914 0.065 0.000 2.709 763 V HA 0.460 4.580 4.120 -0.001 0.000 0.308 763 V C 0.029 176.147 176.094 0.039 0.000 1.062 763 V CA -0.730 61.594 62.300 0.041 0.000 0.901 763 V CB 2.295 34.133 31.823 0.025 0.000 1.003 763 V HN 0.621 nan 8.190 nan 0.000 0.425 764 M N 4.519 124.137 119.600 0.031 0.000 2.200 764 M HA 0.446 4.926 4.480 -0.001 0.000 0.355 764 M C -0.321 175.992 176.300 0.022 0.000 1.283 764 M CA 0.283 55.599 55.300 0.026 0.000 1.124 764 M CB 0.578 33.191 32.600 0.021 0.000 1.625 764 M HN 0.617 nan 8.290 nan 0.000 0.463 765 Q N 2.622 122.435 119.800 0.022 0.000 2.456 765 Q HA 0.566 4.905 4.340 -0.001 0.000 0.284 765 Q C -2.563 173.448 176.000 0.019 0.000 1.061 765 Q CA -1.966 53.849 55.803 0.020 0.000 0.799 765 Q CB 1.530 30.282 28.738 0.023 0.000 1.445 765 Q HN 0.320 nan 8.270 nan 0.000 0.411 766 P HA -0.029 nan 4.420 nan 0.000 0.267 766 P C 0.897 178.210 177.300 0.020 0.000 1.205 766 P CA -0.134 62.977 63.100 0.018 0.000 0.765 766 P CB 0.487 32.198 31.700 0.019 0.000 0.828 767 L N 5.139 126.373 121.223 0.019 0.000 2.010 767 L HA -0.301 4.038 4.340 -0.001 0.000 0.219 767 L C 1.509 178.394 176.870 0.024 0.000 1.077 767 L CA 2.593 57.444 54.840 0.019 0.000 0.773 767 L CB -1.425 40.644 42.059 0.017 0.000 0.892 767 L HN 0.429 nan 8.230 nan 0.000 0.436 768 D N -2.042 118.376 120.400 0.030 0.000 2.228 768 D HA -0.228 4.411 4.640 -0.001 0.000 0.203 768 D C 1.804 178.124 176.300 0.032 0.000 0.988 768 D CA 1.600 55.622 54.000 0.036 0.000 0.864 768 D CB -1.146 39.681 40.800 0.045 0.000 0.928 768 D HN 0.591 nan 8.370 nan 0.000 0.469 769 T N -4.127 110.444 114.554 0.029 0.000 3.148 769 T HA 0.035 4.385 4.350 -0.001 0.000 0.253 769 T C 1.395 176.111 174.700 0.027 0.000 1.134 769 T CA 0.293 62.409 62.100 0.027 0.000 1.051 769 T CB 0.162 69.044 68.868 0.024 0.000 0.959 769 T HN 0.069 nan 8.240 nan 0.000 0.525 770 Q N 0.668 120.484 119.800 0.027 0.000 2.404 770 Q HA 0.203 4.542 4.340 -0.001 0.000 0.262 770 Q C 2.486 178.502 176.000 0.027 0.000 0.846 770 Q CA 0.378 56.198 55.803 0.028 0.000 0.978 770 Q CB 0.037 28.791 28.738 0.027 0.000 1.156 770 Q HN 0.705 nan 8.270 nan 0.000 0.548 771 R N 1.533 122.047 120.500 0.023 0.000 2.094 771 R HA -0.160 4.179 4.340 -0.001 0.000 0.239 771 R C 1.132 177.447 176.300 0.024 0.000 1.137 771 R CA 1.878 57.990 56.100 0.020 0.000 0.943 771 R CB -0.714 29.596 30.300 0.018 0.000 0.850 771 R HN 0.039 nan 8.270 nan 0.000 0.433 772 D N 1.431 121.847 120.400 0.025 0.000 2.133 772 D HA -0.211 4.428 4.640 -0.001 0.000 0.192 772 D C 2.041 178.360 176.300 0.031 0.000 1.001 772 D CA 2.067 56.082 54.000 0.025 0.000 0.844 772 D CB -0.285 40.529 40.800 0.023 0.000 0.944 772 D HN 0.517 nan 8.370 nan 0.000 0.447 773 A N 0.863 123.704 122.820 0.035 0.000 1.872 773 A HA -0.144 4.175 4.320 -0.001 0.000 0.214 773 A C 2.145 179.766 177.584 0.061 0.000 1.187 773 A CA 1.080 53.145 52.037 0.046 0.000 0.614 773 A CB -0.228 18.799 19.000 0.045 0.000 0.826 773 A HN 0.052 nan 8.150 nan 0.000 0.442 774 Q N -0.247 119.585 119.800 0.054 0.000 2.245 774 Q HA 0.013 4.352 4.340 -0.001 0.000 0.201 774 Q C 2.227 178.262 176.000 0.057 0.000 0.955 774 Q CA 1.043 56.883 55.803 0.060 0.000 0.870 774 Q CB -0.787 27.975 28.738 0.041 0.000 0.945 774 Q HN 0.450 nan 8.270 nan 0.000 0.461 775 V N 2.719 122.657 119.914 0.040 0.000 2.255 775 V HA -0.183 3.936 4.120 -0.001 0.000 0.247 775 V C -0.565 175.560 176.094 0.051 0.000 1.051 775 V CA 2.270 64.588 62.300 0.029 0.000 1.018 775 V CB -1.647 30.186 31.823 0.017 0.000 0.641 775 V HN 0.270 nan 8.190 nan 0.000 0.445 776 P HA -0.108 nan 4.420 nan 0.000 0.226 776 P C 1.091 178.467 177.300 0.127 0.000 1.153 776 P CA 1.353 64.496 63.100 0.073 0.000 0.777 776 P CB -0.160 31.570 31.700 0.049 0.000 0.794 777 N N -0.248 118.550 118.700 0.162 0.000 2.173 777 N HA -0.046 4.693 4.740 -0.001 0.000 0.184 777 N C 1.902 177.612 175.510 0.334 0.000 1.025 777 N CA 0.184 53.418 53.050 0.306 0.000 0.852 777 N CB -0.356 38.303 38.487 0.287 0.000 0.998 777 N HN 0.011 nan 8.380 nan 0.000 0.427 778 L N 1.821 123.154 121.223 0.184 0.000 2.083 778 L HA -0.099 4.240 4.340 -0.001 0.000 0.209 778 L C 1.581 178.515 176.870 0.106 0.000 1.083 778 L CA 1.836 56.752 54.840 0.127 0.000 0.752 778 L CB -0.568 41.519 42.059 0.047 0.000 0.899 778 L HN 0.191 nan 8.230 nan 0.000 0.433 779 E N -0.790 119.466 120.200 0.093 0.000 2.265 779 E HA -0.243 4.107 4.350 -0.001 0.000 0.196 779 E C 1.805 178.444 176.600 0.066 0.000 0.996 779 E CA 0.992 57.429 56.400 0.062 0.000 0.832 779 E CB -0.235 29.499 29.700 0.057 0.000 0.756 779 E HN 0.654 nan 8.360 nan 0.000 0.491 780 Y N 0.473 120.764 120.300 -0.015 0.000 2.262 780 Y HA 0.118 4.667 4.550 -0.001 0.000 0.295 780 Y C 2.215 178.055 175.900 -0.099 0.000 1.121 780 Y CA 1.077 59.110 58.100 -0.112 0.000 1.144 780 Y CB -0.280 38.025 38.460 -0.258 0.000 1.043 780 Y HN -0.026 nan 8.280 nan 0.000 0.528 781 A N 0.735 123.599 122.820 0.073 0.000 1.933 781 A HA -0.119 4.200 4.320 -0.001 0.000 0.218 781 A C 2.326 179.892 177.584 -0.030 0.000 1.175 781 A CA 1.750 53.856 52.037 0.116 0.000 0.628 781 A CB -1.443 17.756 19.000 0.333 0.000 0.814 781 A HN 0.569 nan 8.150 nan 0.000 0.444 782 A N -0.584 122.221 122.820 -0.025 0.000 2.076 782 A HA -0.133 4.186 4.320 -0.001 0.000 0.220 782 A C 2.090 179.621 177.584 -0.088 0.000 1.160 782 A CA 1.608 53.622 52.037 -0.037 0.000 0.653 782 A CB -0.352 18.637 19.000 -0.018 0.000 0.801 782 A HN 0.507 nan 8.150 nan 0.000 0.455 783 R N -0.881 119.514 120.500 -0.174 0.000 2.317 783 R HA 0.323 4.662 4.340 -0.001 0.000 0.208 783 R C -0.327 175.837 176.300 -0.226 0.000 0.914 783 R CA -0.012 55.963 56.100 -0.208 0.000 1.060 783 R CB 0.045 30.177 30.300 -0.280 0.000 1.015 783 R HN 0.464 nan 8.270 nan 0.000 0.498 784 I N 2.216 122.662 120.570 -0.207 0.000 2.342 784 I HA 0.212 4.381 4.170 -0.001 0.000 0.291 784 I C -2.052 174.021 176.117 -0.073 0.000 1.010 784 I CA -2.429 58.784 61.300 -0.145 0.000 1.308 784 I CB 1.276 39.216 38.000 -0.099 0.000 1.400 784 I HN -0.250 nan 8.210 nan 0.000 0.488 785 P HA -0.012 nan 4.420 nan 0.000 0.262 785 P C -0.492 176.789 177.300 -0.033 0.000 1.182 785 P CA -0.099 62.979 63.100 -0.036 0.000 0.761 785 P CB 0.301 31.987 31.700 -0.024 0.000 0.795 786 V N 5.386 125.284 119.914 -0.028 0.000 2.521 786 V HA 0.011 4.131 4.120 -0.001 0.000 0.286 786 V C 1.042 177.106 176.094 -0.050 0.000 1.034 786 V CA 0.198 62.484 62.300 -0.022 0.000 1.045 786 V CB 0.142 31.965 31.823 0.001 0.000 0.974 786 V HN 0.399 nan 8.190 nan 0.000 0.480 787 K N 3.825 124.151 120.400 -0.123 0.000 2.222 787 K HA 0.157 4.476 4.320 -0.001 0.000 0.243 787 K C 1.290 177.814 176.600 -0.127 0.000 1.160 787 K CA 0.125 56.297 56.287 -0.192 0.000 1.090 787 K CB 0.408 32.650 32.500 -0.429 0.000 1.694 787 K HN 0.856 nan 8.250 nan 0.000 0.361 788 S N -0.470 115.209 115.700 -0.035 0.000 2.489 788 S HA -0.039 4.430 4.470 -0.001 0.000 0.228 788 S C 1.326 175.929 174.600 0.005 0.000 0.995 788 S CA 0.442 58.650 58.200 0.013 0.000 0.934 788 S CB 0.147 63.355 63.200 0.013 0.000 0.771 788 S HN 0.306 nan 8.310 nan 0.000 0.522 789 E N 0.781 120.969 120.200 -0.021 0.000 2.400 789 E HA 0.235 4.584 4.350 -0.001 0.000 0.195 789 E C 1.763 178.351 176.600 -0.021 0.000 1.012 789 E CA 0.067 56.461 56.400 -0.010 0.000 0.875 789 E CB -0.162 29.536 29.700 -0.004 0.000 0.859 789 E HN 0.333 nan 8.360 nan 0.000 0.498 790 V N -0.201 119.669 119.914 -0.074 0.000 2.427 790 V HA -0.012 4.107 4.120 -0.001 0.000 0.248 790 V C 0.679 176.762 176.094 -0.018 0.000 1.051 790 V CA 1.193 63.434 62.300 -0.100 0.000 1.048 790 V CB 0.142 31.772 31.823 -0.322 0.000 0.666 790 V HN 0.070 nan 8.190 nan 0.000 0.456 791 L N -0.862 120.388 121.223 0.045 0.000 2.309 791 L HA 0.492 4.831 4.340 -0.001 0.000 0.261 791 L C -2.488 174.420 176.870 0.063 0.000 1.021 791 L CA -2.069 52.819 54.840 0.080 0.000 0.823 791 L CB 1.857 44.014 42.059 0.163 0.000 1.366 791 L HN -0.072 nan 8.230 nan 0.000 0.423 792 P HA 0.058 nan 4.420 nan 0.000 0.261 792 P C 0.105 177.418 177.300 0.022 0.000 1.183 792 P CA 0.116 63.233 63.100 0.028 0.000 0.761 792 P CB 0.586 32.298 31.700 0.021 0.000 0.785 793 R N 3.455 123.962 120.500 0.011 0.000 2.091 793 R HA -0.178 4.161 4.340 -0.001 0.000 0.238 793 R C 0.902 177.177 176.300 -0.041 0.000 1.136 793 R CA 1.988 58.080 56.100 -0.014 0.000 0.959 793 R CB -0.195 30.087 30.300 -0.030 0.000 0.856 793 R HN 0.547 nan 8.270 nan 0.000 0.437 794 D N -0.126 120.253 120.400 -0.036 0.000 2.336 794 D HA -0.025 4.615 4.640 -0.001 0.000 0.228 794 D C -0.230 176.060 176.300 -0.016 0.000 1.120 794 D CA -0.120 53.853 54.000 -0.045 0.000 0.839 794 D CB 0.107 40.888 40.800 -0.032 0.000 0.932 794 D HN 0.135 nan 8.370 nan 0.000 0.509 795 S N -0.877 114.816 115.700 -0.011 0.000 2.617 795 S HA 0.297 4.767 4.470 -0.001 0.000 0.283 795 S C 1.242 175.820 174.600 -0.038 0.000 1.189 795 S CA -0.956 57.231 58.200 -0.022 0.000 1.036 795 S CB 2.060 65.249 63.200 -0.019 0.000 1.014 795 S HN 0.141 nan 8.310 nan 0.000 0.522 796 L N 1.345 122.511 121.223 -0.094 0.000 1.978 796 L HA -0.212 4.127 4.340 -0.001 0.000 0.218 796 L C 2.720 179.498 176.870 -0.154 0.000 1.075 796 L CA 2.139 56.861 54.840 -0.197 0.000 0.767 796 L CB -0.449 41.434 42.059 -0.293 0.000 0.890 796 L HN 0.987 nan 8.230 nan 0.000 0.434 797 K N -0.814 119.484 120.400 -0.170 0.000 2.025 797 K HA -0.137 4.182 4.320 -0.001 0.000 0.207 797 K C 1.902 178.303 176.600 -0.332 0.000 1.049 797 K CA 1.334 57.465 56.287 -0.259 0.000 0.933 797 K CB -0.377 31.999 32.500 -0.207 0.000 0.714 797 K HN 0.511 nan 8.250 nan 0.000 0.438 798 G N 0.436 109.163 108.800 -0.122 0.000 2.442 798 G HA2 -0.292 3.667 3.960 -0.001 0.000 0.219 798 G HA3 -0.292 3.667 3.960 -0.001 0.000 0.219 798 G C 1.509 176.404 174.900 -0.007 0.000 1.141 798 G CA 1.219 46.319 45.100 0.001 0.000 0.763 798 G HN 0.507 nan 8.290 nan 0.000 0.554 799 S N 0.021 115.707 115.700 -0.024 0.000 2.399 799 S HA -0.096 4.373 4.470 -0.001 0.000 0.231 799 S C 1.978 176.559 174.600 -0.032 0.000 1.022 799 S CA 1.266 59.460 58.200 -0.010 0.000 0.983 799 S CB -0.178 63.053 63.200 0.051 0.000 0.803 799 S HN 0.303 nan 8.310 nan 0.000 0.480 800 Q N 0.103 119.846 119.800 -0.095 0.000 2.482 800 Q HA 0.290 4.630 4.340 -0.001 0.000 0.209 800 Q C 0.442 176.402 176.000 -0.068 0.000 0.961 800 Q CA 0.364 56.093 55.803 -0.123 0.000 0.945 800 Q CB -0.499 28.139 28.738 -0.168 0.000 1.012 800 Q HN 0.790 nan 8.270 nan 0.000 0.515 801 F N 0.492 120.440 119.950 -0.003 0.000 2.639 801 F HA 0.165 4.691 4.527 -0.001 0.000 0.300 801 F C 0.691 176.468 175.800 -0.038 0.000 1.109 801 F CA -0.541 57.446 58.000 -0.021 0.000 1.335 801 F CB 0.817 39.800 39.000 -0.028 0.000 1.014 801 F HN -0.110 nan 8.300 nan 0.000 0.537 802 Q N 0.666 120.532 119.800 0.110 0.000 2.351 802 Q HA 0.276 4.615 4.340 -0.001 0.000 0.273 802 Q C -0.433 175.565 176.000 -0.003 0.000 1.077 802 Q CA -0.602 55.219 55.803 0.031 0.000 0.843 802 Q CB 1.767 30.494 28.738 -0.019 0.000 1.367 802 Q HN 0.311 nan 8.270 nan 0.000 0.449 803 E N 3.232 123.419 120.200 -0.021 0.000 2.257 803 E HA 0.164 4.514 4.350 -0.001 0.000 0.278 803 E C -2.078 174.476 176.600 -0.076 0.000 1.049 803 E CA -1.491 54.883 56.400 -0.043 0.000 0.876 803 E CB 0.533 30.210 29.700 -0.037 0.000 1.035 803 E HN 0.165 nan 8.360 nan 0.000 0.419 804 P HA 0.066 nan 4.420 nan 0.000 0.281 804 P C -0.288 176.919 177.300 -0.156 0.000 1.252 804 P CA -0.355 62.654 63.100 -0.151 0.000 0.778 804 P CB 0.967 32.552 31.700 -0.191 0.000 0.895 805 L N 2.954 124.101 121.223 -0.127 0.000 2.741 805 L HA 0.338 4.677 4.340 -0.001 0.000 0.237 805 L C 0.630 177.420 176.870 -0.133 0.000 1.178 805 L CA 0.633 55.423 54.840 -0.084 0.000 0.973 805 L CB -0.611 41.454 42.059 0.009 0.000 1.255 805 L HN 0.450 nan 8.230 nan 0.000 0.498 806 M N 0.768 120.195 119.600 -0.287 0.000 2.150 806 M HA 0.366 4.845 4.480 -0.001 0.000 0.255 806 M C -1.504 174.502 176.300 -0.490 0.000 0.963 806 M CA 0.122 55.133 55.300 -0.483 0.000 1.033 806 M CB 1.341 33.529 32.600 -0.686 0.000 2.007 806 M HN 0.150 nan 8.290 nan 0.000 0.462 807 E N 3.748 123.621 120.200 -0.544 0.000 2.343 807 E HA 0.568 4.917 4.350 -0.001 0.000 0.270 807 E C -0.722 175.500 176.600 -0.631 0.000 0.895 807 E CA -0.903 55.003 56.400 -0.823 0.000 0.767 807 E CB 1.771 30.587 29.700 -1.473 0.000 1.248 807 E HN 0.652 nan 8.360 nan 0.000 0.440 808 F N 0.099 120.009 119.950 -0.066 0.000 3.048 808 F HA -0.279 4.247 4.527 -0.001 0.000 0.269 808 F C 0.866 176.704 175.800 0.062 0.000 0.960 808 F CA 0.151 58.177 58.000 0.043 0.000 0.909 808 F CB -1.838 37.172 39.000 0.016 0.000 0.837 808 F HN 0.360 nan 8.300 nan 0.000 0.768 809 S N 0.591 116.326 115.700 0.058 0.000 2.617 809 S HA 0.508 4.977 4.470 -0.001 0.000 0.259 809 S C 1.269 175.983 174.600 0.190 0.000 1.301 809 S CA -0.172 58.067 58.200 0.066 0.000 0.984 809 S CB 1.658 64.805 63.200 -0.088 0.000 0.954 809 S HN 0.497 nan 8.310 nan 0.000 0.572 810 G N -0.298 108.639 108.800 0.228 0.000 3.379 810 G HA2 0.490 4.450 3.960 -0.001 0.000 0.253 810 G HA3 0.490 4.450 3.960 -0.001 0.000 0.253 810 G C 0.416 175.468 174.900 0.254 0.000 1.262 810 G CA -0.027 45.220 45.100 0.244 0.000 0.959 810 G HN 1.086 nan 8.290 nan 0.000 0.524 811 A N -0.540 122.393 122.820 0.187 0.000 2.406 811 A HA 0.462 4.781 4.320 -0.001 0.000 0.243 811 A C 0.948 178.658 177.584 0.211 0.000 1.082 811 A CA -0.329 51.764 52.037 0.094 0.000 0.786 811 A CB 0.113 18.880 19.000 -0.387 0.000 1.029 811 A HN 0.382 nan 8.150 nan 0.000 0.495 812 C N 0.399 119.787 119.300 0.147 0.000 2.758 812 C HA 0.310 4.770 4.460 -0.001 0.000 0.371 812 C C 1.314 176.392 174.990 0.147 0.000 1.342 812 C CA -0.409 58.683 59.018 0.124 0.000 2.257 812 C CB -0.275 27.517 27.740 0.086 0.000 2.621 812 C HN 0.811 nan 8.230 nan 0.000 0.730 813 S N 0.789 116.530 115.700 0.068 0.000 2.533 813 S HA 0.421 4.890 4.470 -0.001 0.000 0.282 813 S C 1.121 175.755 174.600 0.058 0.000 1.304 813 S CA 0.695 58.912 58.200 0.027 0.000 1.063 813 S CB 0.411 63.601 63.200 -0.017 0.000 0.881 813 S HN 1.554 nan 8.310 nan 0.000 0.493 814 G N 1.512 110.359 108.800 0.077 0.000 2.153 814 G HA2 -0.302 3.658 3.960 -0.001 0.000 0.252 814 G HA3 -0.302 3.658 3.960 -0.001 0.000 0.252 814 G C 0.431 175.346 174.900 0.025 0.000 0.994 814 G CA -0.029 45.097 45.100 0.045 0.000 0.698 814 G HN 0.974 nan 8.290 nan 0.000 0.521 815 C N 0.942 120.258 119.300 0.027 0.000 2.563 815 C HA 0.461 4.920 4.460 -0.001 0.000 0.411 815 C C 2.173 177.134 174.990 -0.048 0.000 1.386 815 C CA 1.044 60.050 59.018 -0.021 0.000 1.703 815 C CB -0.083 27.600 27.740 -0.095 0.000 2.596 815 C HN 1.084 nan 8.230 nan 0.000 0.605 816 G N 3.415 112.209 108.800 -0.010 0.000 2.920 816 G HA2 0.033 3.993 3.960 -0.001 0.000 0.208 816 G HA3 0.033 3.993 3.960 -0.001 0.000 0.208 816 G C 1.226 176.196 174.900 0.116 0.000 1.159 816 G CA 0.339 45.448 45.100 0.016 0.000 0.784 816 G HN 0.922 nan 8.290 nan 0.000 0.535 817 E N 0.234 120.489 120.200 0.091 0.000 2.132 817 E HA -0.063 4.286 4.350 -0.001 0.000 0.193 817 E C 2.735 179.398 176.600 0.106 0.000 0.951 817 E CA 1.101 57.633 56.400 0.219 0.000 0.843 817 E CB -0.204 29.686 29.700 0.317 0.000 0.807 817 E HN 0.428 nan 8.360 nan 0.000 0.467 818 T N 0.136 114.532 114.554 -0.264 0.000 2.803 818 T HA -0.092 4.257 4.350 -0.001 0.000 0.269 818 T C -1.106 173.394 174.700 -0.333 0.000 1.052 818 T CA 0.747 62.529 62.100 -0.530 0.000 1.136 818 T CB -1.389 66.921 68.868 -0.930 0.000 0.864 818 T HN -0.012 nan 8.240 nan 0.000 0.467 819 P HA -0.016 nan 4.420 nan 0.000 0.217 819 P C 0.908 178.039 177.300 -0.283 0.000 1.150 819 P CA 0.939 63.848 63.100 -0.318 0.000 0.832 819 P CB -0.223 31.258 31.700 -0.365 0.000 0.787 820 Y N -0.280 119.936 120.300 -0.140 0.000 2.114 820 Y HA -0.202 4.347 4.550 -0.001 0.000 0.284 820 Y C 2.422 178.274 175.900 -0.080 0.000 1.143 820 Y CA 1.302 59.360 58.100 -0.070 0.000 1.135 820 Y CB -1.479 37.045 38.460 0.107 0.000 0.980 820 Y HN -0.183 nan 8.280 nan 0.000 0.499 821 V N -0.273 119.688 119.914 0.078 0.000 2.407 821 V HA -0.259 3.860 4.120 -0.001 0.000 0.248 821 V C 2.252 178.315 176.094 -0.051 0.000 1.055 821 V CA 2.071 64.360 62.300 -0.018 0.000 1.049 821 V CB -0.810 31.129 31.823 0.192 0.000 0.662 821 V HN 0.361 nan 8.190 nan 0.000 0.455 822 R N 0.840 121.253 120.500 -0.146 0.000 2.083 822 R HA -0.147 4.192 4.340 -0.001 0.000 0.237 822 R C 2.428 178.597 176.300 -0.219 0.000 1.137 822 R CA 2.511 58.482 56.100 -0.215 0.000 0.951 822 R CB -0.602 29.525 30.300 -0.288 0.000 0.851 822 R HN 0.653 nan 8.270 nan 0.000 0.434 823 V N -0.395 119.367 119.914 -0.253 0.000 2.427 823 V HA -0.131 3.988 4.120 -0.001 0.000 0.248 823 V C 2.102 178.030 176.094 -0.277 0.000 1.051 823 V CA 1.642 63.752 62.300 -0.316 0.000 1.048 823 V CB -0.415 31.112 31.823 -0.494 0.000 0.666 823 V HN 0.357 nan 8.190 nan 0.000 0.456 824 I N 2.200 122.637 120.570 -0.221 0.000 2.194 824 I HA -0.280 3.889 4.170 -0.001 0.000 0.246 824 I C 2.911 178.881 176.117 -0.244 0.000 1.093 824 I CA 2.523 63.650 61.300 -0.288 0.000 1.355 824 I CB -0.756 37.040 38.000 -0.340 0.000 1.046 824 I HN 0.644 nan 8.210 nan 0.000 0.413 825 T N -1.927 112.547 114.554 -0.133 0.000 2.915 825 T HA -0.198 4.151 4.350 -0.001 0.000 0.269 825 T C 1.685 176.303 174.700 -0.136 0.000 1.071 825 T CA 0.982 63.038 62.100 -0.073 0.000 1.132 825 T CB -0.333 68.536 68.868 0.002 0.000 0.878 825 T HN 0.424 nan 8.240 nan 0.000 0.479 826 Q N -0.046 119.637 119.800 -0.195 0.000 2.364 826 Q HA 0.138 4.478 4.340 -0.001 0.000 0.207 826 Q C 1.729 177.579 176.000 -0.250 0.000 0.970 826 Q CA 0.753 56.445 55.803 -0.186 0.000 0.888 826 Q CB -0.134 28.495 28.738 -0.181 0.000 0.951 826 Q HN 0.411 nan 8.270 nan 0.000 0.469 827 L N -2.245 118.717 121.223 -0.435 0.000 2.357 827 L HA 0.099 4.438 4.340 -0.001 0.000 0.211 827 L C 0.786 177.183 176.870 -0.788 0.000 1.075 827 L CA 1.253 55.641 54.840 -0.754 0.000 0.830 827 L CB 0.449 41.755 42.059 -1.256 0.000 0.996 827 L HN 0.140 nan 8.230 nan 0.000 0.467 828 F N -2.791 117.143 119.950 -0.026 0.000 2.856 828 F HA 0.338 4.864 4.527 -0.001 0.000 0.338 828 F C 2.045 177.852 175.800 0.012 0.000 1.100 828 F CA 0.150 58.167 58.000 0.028 0.000 1.150 828 F CB -0.664 38.395 39.000 0.099 0.000 1.101 828 F HN -0.086 nan 8.300 nan 0.000 0.548 829 G N 1.791 110.645 108.800 0.090 0.000 2.606 829 G HA2 -0.378 3.581 3.960 -0.001 0.000 0.221 829 G HA3 -0.378 3.581 3.960 -0.001 0.000 0.221 829 G C 1.661 176.603 174.900 0.070 0.000 1.152 829 G CA 1.771 46.914 45.100 0.072 0.000 0.765 829 G HN 0.466 nan 8.290 nan 0.000 0.595 830 E N 1.433 121.670 120.200 0.062 0.000 2.409 830 E HA -0.173 4.176 4.350 -0.001 0.000 0.198 830 E C 1.906 178.533 176.600 0.044 0.000 1.024 830 E CA 1.131 57.557 56.400 0.043 0.000 0.861 830 E CB -0.226 29.499 29.700 0.041 0.000 0.788 830 E HN 0.729 nan 8.360 nan 0.000 0.521 831 R N 0.685 121.240 120.500 0.091 0.000 2.629 831 R HA 0.326 4.665 4.340 -0.001 0.000 0.408 831 R C 0.696 177.060 176.300 0.106 0.000 1.057 831 R CA -0.316 55.836 56.100 0.087 0.000 1.119 831 R CB -0.198 30.187 30.300 0.142 0.000 1.403 831 R HN 0.108 nan 8.270 nan 0.000 0.576 832 M N -0.619 119.027 119.600 0.076 0.000 2.598 832 M HA 0.569 5.048 4.480 -0.001 0.000 0.317 832 M C -1.510 174.768 176.300 -0.038 0.000 1.201 832 M CA -0.684 54.702 55.300 0.142 0.000 0.971 832 M CB 1.459 34.185 32.600 0.210 0.000 1.657 832 M HN -0.199 nan 8.290 nan 0.000 0.470 833 F N 1.599 121.578 119.950 0.047 0.000 2.480 833 F HA 0.676 5.203 4.527 -0.001 0.000 0.329 833 F C -0.434 175.290 175.800 -0.127 0.000 1.091 833 F CA -0.589 57.376 58.000 -0.058 0.000 0.972 833 F CB 1.904 40.851 39.000 -0.088 0.000 1.150 833 F HN 0.463 nan 8.300 nan 0.000 0.467 834 I N 2.681 123.183 120.570 -0.113 0.000 2.439 834 I HA 0.484 4.653 4.170 -0.001 0.000 0.285 834 I C -0.724 175.087 176.117 -0.511 0.000 1.021 834 I CA -0.798 60.254 61.300 -0.414 0.000 1.091 834 I CB 1.794 39.393 38.000 -0.667 0.000 1.242 834 I HN 0.666 nan 8.210 nan 0.000 0.439 835 A N 6.074 128.670 122.820 -0.372 0.000 2.341 835 A HA 0.397 4.716 4.320 -0.001 0.000 0.326 835 A C -0.452 176.930 177.584 -0.336 0.000 1.402 835 A CA -0.505 51.381 52.037 -0.251 0.000 0.957 835 A CB 0.105 19.052 19.000 -0.088 0.000 1.151 835 A HN 0.699 nan 8.150 nan 0.000 0.533 836 N N 2.195 120.554 118.700 -0.569 0.000 2.422 836 N HA 0.466 5.205 4.740 -0.001 0.000 0.266 836 N C 0.115 175.413 175.510 -0.353 0.000 1.007 836 N CA 0.046 52.826 53.050 -0.450 0.000 0.941 836 N CB 1.653 39.805 38.487 -0.559 0.000 1.115 836 N HN 0.684 nan 8.380 nan 0.000 0.492 837 A N 2.797 125.394 122.820 -0.372 0.000 2.445 837 A HA 0.212 4.531 4.320 -0.001 0.000 0.242 837 A C 0.504 178.036 177.584 -0.088 0.000 1.075 837 A CA 0.028 51.862 52.037 -0.339 0.000 0.777 837 A CB -0.005 18.598 19.000 -0.662 0.000 1.013 837 A HN 0.639 nan 8.150 nan 0.000 0.493 838 T N 1.202 115.772 114.554 0.027 0.000 2.940 838 T HA 0.513 4.862 4.350 -0.001 0.000 0.309 838 T C 0.751 175.383 174.700 -0.113 0.000 1.056 838 T CA 1.103 63.182 62.100 -0.034 0.000 1.137 838 T CB 0.563 69.406 68.868 -0.042 0.000 0.976 838 T HN 1.788 nan 8.240 nan 0.000 0.547 839 G N 0.402 109.111 108.800 -0.152 0.000 2.352 839 G HA2 0.069 4.028 3.960 -0.001 0.000 0.283 839 G HA3 0.069 4.028 3.960 -0.001 0.000 0.283 839 G C 0.838 175.670 174.900 -0.114 0.000 1.308 839 G CA -0.255 44.751 45.100 -0.157 0.000 0.892 839 G HN 0.682 nan 8.290 nan 0.000 0.504 840 C N 0.528 119.795 119.300 -0.055 0.000 2.398 840 C HA -0.079 4.380 4.460 -0.001 0.000 0.276 840 C C 3.430 178.189 174.990 -0.385 0.000 1.222 840 C CA 2.842 61.844 59.018 -0.027 0.000 1.746 840 C CB -1.368 26.471 27.740 0.166 0.000 2.039 840 C HN 1.112 nan 8.230 nan 0.000 0.470 841 S N 1.148 116.589 115.700 -0.432 0.000 2.419 841 S HA -0.170 4.299 4.470 -0.001 0.000 0.235 841 S C 1.666 175.757 174.600 -0.849 0.000 1.019 841 S CA 1.801 59.364 58.200 -1.062 0.000 0.982 841 S CB -0.649 62.403 63.200 -0.247 0.000 0.789 841 S HN 0.823 nan 8.310 nan 0.000 0.490 842 S N 1.083 116.603 115.700 -0.299 0.000 2.458 842 S HA 0.202 4.672 4.470 -0.001 0.000 0.223 842 S C 1.740 176.282 174.600 -0.096 0.000 1.019 842 S CA 0.069 58.280 58.200 0.018 0.000 0.937 842 S CB -0.408 62.857 63.200 0.108 0.000 0.788 842 S HN 0.383 nan 8.310 nan 0.000 0.511 843 I N 2.183 122.656 120.570 -0.163 0.000 2.333 843 I HA 0.015 4.184 4.170 -0.001 0.000 0.246 843 I C 2.596 178.726 176.117 0.022 0.000 1.106 843 I CA 0.804 62.070 61.300 -0.056 0.000 1.411 843 I CB -1.650 36.343 38.000 -0.012 0.000 1.082 843 I HN 0.662 nan 8.210 nan 0.000 0.420 844 W N 1.090 122.426 121.300 0.060 0.000 2.576 844 W HA 0.179 4.838 4.660 -0.001 0.000 0.270 844 W C 1.846 178.365 176.519 -0.001 0.000 1.255 844 W CA 0.676 58.041 57.345 0.034 0.000 1.314 844 W CB -1.281 28.196 29.460 0.028 0.000 1.101 844 W HN 0.090 nan 8.180 nan 0.000 0.595 845 G N 1.294 110.027 108.800 -0.112 0.000 2.421 845 G HA2 0.145 4.105 3.960 -0.001 0.000 0.217 845 G HA3 0.145 4.105 3.960 -0.001 0.000 0.217 845 G C 0.920 175.592 174.900 -0.380 0.000 1.143 845 G CA 1.132 46.147 45.100 -0.142 0.000 0.784 845 G HN 0.339 nan 8.290 nan 0.000 0.541 846 A N -0.185 122.429 122.820 -0.343 0.000 3.455 846 A HA 0.594 4.913 4.320 -0.001 0.000 0.225 846 A C -0.090 177.399 177.584 -0.159 0.000 1.052 846 A CA -0.293 51.542 52.037 -0.336 0.000 1.005 846 A CB 0.177 18.805 19.000 -0.619 0.000 1.318 846 A HN 0.032 nan 8.150 nan 0.000 0.639 847 S N 1.772 117.425 115.700 -0.078 0.000 2.399 847 S HA 0.541 5.010 4.470 -0.001 0.000 0.301 847 S C 0.799 175.347 174.600 -0.086 0.000 1.093 847 S CA 0.085 58.255 58.200 -0.050 0.000 1.077 847 S CB 0.809 64.023 63.200 0.023 0.000 0.980 847 S HN 1.208 nan 8.310 nan 0.000 0.494 848 A N 5.329 128.029 122.820 -0.200 0.000 2.561 848 A HA 0.260 4.579 4.320 -0.001 0.000 0.234 848 A C -0.922 176.634 177.584 -0.046 0.000 1.055 848 A CA -0.631 51.222 52.037 -0.307 0.000 0.756 848 A CB -0.084 18.640 19.000 -0.460 0.000 0.986 848 A HN 0.625 nan 8.150 nan 0.000 0.505 849 P HA 0.091 nan 4.420 nan 0.000 0.268 849 P C 0.188 177.640 177.300 0.253 0.000 1.329 849 P CA 0.094 63.313 63.100 0.198 0.000 0.899 849 P CB 0.289 32.188 31.700 0.332 0.000 1.378 850 S N 1.390 117.189 115.700 0.164 0.000 2.448 850 S HA 0.432 4.901 4.470 -0.001 0.000 0.279 850 S C 0.120 174.809 174.600 0.148 0.000 1.195 850 S CA -0.438 57.885 58.200 0.206 0.000 1.051 850 S CB -0.419 62.896 63.200 0.193 0.000 0.948 850 S HN -0.100 nan 8.310 nan 0.000 0.493 851 M N 8.293 128.012 119.600 0.198 0.000 2.023 851 M HA 0.317 4.796 4.480 -0.001 0.000 0.325 851 M C -1.889 174.484 176.300 0.122 0.000 0.963 851 M CA -2.615 52.764 55.300 0.132 0.000 0.928 851 M CB 1.230 33.938 32.600 0.180 0.000 1.429 851 M HN 0.400 nan 8.290 nan 0.000 0.404 852 P HA -0.100 nan 4.420 nan 0.000 0.220 852 P C 0.016 177.245 177.300 -0.118 0.000 1.152 852 P CA 1.053 64.131 63.100 -0.038 0.000 0.812 852 P CB 0.083 31.740 31.700 -0.071 0.000 0.792 853 Y N 2.115 122.373 120.300 -0.070 0.000 2.511 853 Y HA 0.098 4.647 4.550 -0.001 0.000 0.332 853 Y C 1.604 177.481 175.900 -0.040 0.000 1.177 853 Y CA 0.383 58.451 58.100 -0.055 0.000 1.422 853 Y CB 0.357 38.778 38.460 -0.064 0.000 1.271 853 Y HN 0.045 nan 8.280 nan 0.000 0.550 854 K N -0.379 120.071 120.400 0.083 0.000 2.439 854 K HA 0.722 5.041 4.320 -0.001 0.000 0.260 854 K C -0.991 175.631 176.600 0.037 0.000 1.032 854 K CA -1.055 55.256 56.287 0.039 0.000 0.882 854 K CB 1.522 34.001 32.500 -0.034 0.000 1.420 854 K HN 0.518 nan 8.250 nan 0.000 0.455 855 T N -0.969 113.599 114.554 0.024 0.000 2.934 855 T HA 0.272 4.621 4.350 -0.001 0.000 0.283 855 T C 0.235 174.934 174.700 -0.001 0.000 1.005 855 T CA -0.795 61.314 62.100 0.015 0.000 1.041 855 T CB 0.678 69.554 68.868 0.014 0.000 1.042 855 T HN 0.735 nan 8.240 nan 0.000 0.505 856 N N 0.596 119.294 118.700 -0.003 0.000 2.431 856 N HA 0.171 4.911 4.740 -0.001 0.000 0.289 856 N C 1.420 176.927 175.510 -0.006 0.000 1.277 856 N CA -0.992 52.052 53.050 -0.010 0.000 0.972 856 N CB 0.269 38.752 38.487 -0.007 0.000 1.143 856 N HN 0.821 nan 8.380 nan 0.000 0.578 857 R N -1.469 119.027 120.500 -0.008 0.000 2.127 857 R HA -0.064 4.275 4.340 -0.001 0.000 0.238 857 R C 0.650 176.949 176.300 -0.002 0.000 1.134 857 R CA 1.060 57.157 56.100 -0.005 0.000 0.975 857 R CB -0.661 29.635 30.300 -0.008 0.000 0.865 857 R HN 0.320 nan 8.270 nan 0.000 0.447 858 L N 0.474 121.696 121.223 -0.001 0.000 2.591 858 L HA 0.260 4.599 4.340 -0.001 0.000 0.228 858 L C 1.249 178.117 176.870 -0.003 0.000 1.133 858 L CA 1.172 56.011 54.840 -0.001 0.000 0.880 858 L CB -0.290 41.770 42.059 0.001 0.000 1.033 858 L HN 0.643 nan 8.230 nan 0.000 0.450 859 G N -0.490 108.308 108.800 -0.002 0.000 2.143 859 G HA2 -0.281 3.678 3.960 -0.001 0.000 0.249 859 G HA3 -0.281 3.678 3.960 -0.001 0.000 0.249 859 G C 0.395 175.290 174.900 -0.008 0.000 0.981 859 G CA -0.011 45.087 45.100 -0.003 0.000 0.665 859 G HN 0.438 nan 8.290 nan 0.000 0.528 860 Q N -0.376 119.420 119.800 -0.007 0.000 2.222 860 Q HA 0.647 4.986 4.340 -0.001 0.000 0.252 860 Q C 0.441 176.439 176.000 -0.004 0.000 0.926 860 Q CA 0.034 55.830 55.803 -0.012 0.000 0.899 860 Q CB 2.040 30.775 28.738 -0.005 0.000 1.250 860 Q HN 0.908 nan 8.270 nan 0.000 0.441 861 G N 1.312 110.105 108.800 -0.011 0.000 2.466 861 G HA2 0.352 4.311 3.960 -0.001 0.000 0.291 861 G HA3 0.352 4.311 3.960 -0.001 0.000 0.291 861 G C -3.089 171.809 174.900 -0.004 0.000 1.460 861 G CA -1.063 44.045 45.100 0.014 0.000 0.791 861 G HN 0.302 nan 8.290 nan 0.000 0.505 862 P HA 0.359 nan 4.420 nan 0.000 0.261 862 P C -0.023 177.251 177.300 -0.043 0.000 1.183 862 P CA 0.331 63.437 63.100 0.009 0.000 0.761 862 P CB 0.852 32.620 31.700 0.113 0.000 0.785 863 A N 4.115 126.842 122.820 -0.155 0.000 2.343 863 A HA 0.270 4.589 4.320 -0.001 0.000 0.305 863 A C -0.897 176.666 177.584 -0.035 0.000 1.308 863 A CA -0.412 51.541 52.037 -0.141 0.000 0.949 863 A CB -0.494 18.273 19.000 -0.388 0.000 1.148 863 A HN 0.625 nan 8.150 nan 0.000 0.545 864 W N 2.747 123.939 121.300 -0.180 0.000 2.469 864 W HA 0.587 5.246 4.660 -0.001 0.000 0.320 864 W C 0.271 176.743 176.519 -0.079 0.000 1.086 864 W CA 0.282 57.493 57.345 -0.223 0.000 1.211 864 W CB 1.811 31.018 29.460 -0.422 0.000 1.298 864 W HN 0.858 nan 8.180 nan 0.000 0.525 865 G N 3.631 112.113 108.800 -0.530 0.000 2.706 865 G HA2 0.303 4.263 3.960 -0.001 0.000 0.297 865 G HA3 0.303 4.263 3.960 -0.001 0.000 0.297 865 G C -2.135 172.363 174.900 -0.670 0.000 1.403 865 G CA -0.983 43.950 45.100 -0.280 0.000 0.954 865 G HN 0.431 nan 8.290 nan 0.000 0.500 866 N N 0.550 119.022 118.700 -0.380 0.000 2.483 866 N HA 0.464 5.203 4.740 -0.001 0.000 0.267 866 N C 0.644 175.941 175.510 -0.354 0.000 0.998 866 N CA -0.163 52.663 53.050 -0.373 0.000 0.918 866 N CB 2.318 40.741 38.487 -0.107 0.000 1.215 866 N HN 0.336 nan 8.380 nan 0.000 0.500 867 S N 3.469 118.782 115.700 -0.645 0.000 2.291 867 S HA 0.471 4.940 4.470 -0.001 0.000 0.185 867 S C 0.337 174.728 174.600 -0.350 0.000 0.996 867 S CA 0.302 58.046 58.200 -0.760 0.000 0.997 867 S CB -0.183 62.224 63.200 -1.321 0.000 0.899 867 S HN 0.489 nan 8.310 nan 0.000 0.493 868 L N -0.878 120.186 121.223 -0.265 0.000 2.194 868 L HA 0.499 4.838 4.340 -0.001 0.000 0.248 868 L C 0.514 177.406 176.870 0.037 0.000 1.071 868 L CA -0.677 54.114 54.840 -0.082 0.000 0.901 868 L CB 0.731 42.758 42.059 -0.053 0.000 1.497 868 L HN 0.407 nan 8.230 nan 0.000 0.442 869 F N 1.125 121.045 119.950 -0.050 0.000 2.270 869 F HA -0.034 4.493 4.527 -0.001 0.000 0.295 869 F C 2.205 178.091 175.800 0.144 0.000 1.087 869 F CA 1.299 59.308 58.000 0.015 0.000 1.365 869 F CB -0.035 38.989 39.000 0.040 0.000 1.056 869 F HN 0.609 nan 8.300 nan 0.000 0.506 870 E N 0.085 120.295 120.200 0.016 0.000 2.371 870 E HA -0.115 4.234 4.350 -0.001 0.000 0.194 870 E C 0.428 177.082 176.600 0.090 0.000 1.012 870 E CA 1.180 57.544 56.400 -0.060 0.000 0.860 870 E CB -0.716 28.922 29.700 -0.103 0.000 0.811 870 E HN 0.565 nan 8.360 nan 0.000 0.502 871 D N 0.323 120.772 120.400 0.081 0.000 2.462 871 D HA 0.272 4.911 4.640 -0.001 0.000 0.221 871 D C 1.403 177.778 176.300 0.126 0.000 1.173 871 D CA 0.353 54.411 54.000 0.097 0.000 0.831 871 D CB 0.481 41.290 40.800 0.015 0.000 1.001 871 D HN 0.120 nan 8.370 nan 0.000 0.499 872 A N 1.269 124.134 122.820 0.075 0.000 1.892 872 A HA -0.072 4.247 4.320 -0.001 0.000 0.218 872 A C 2.409 180.066 177.584 0.122 0.000 1.188 872 A CA 2.484 54.471 52.037 -0.082 0.000 0.631 872 A CB -1.007 17.577 19.000 -0.693 0.000 0.822 872 A HN 0.399 nan 8.150 nan 0.000 0.447 873 A N -0.357 122.681 122.820 0.363 0.000 1.883 873 A HA -0.183 4.136 4.320 -0.001 0.000 0.217 873 A C 1.881 179.608 177.584 0.238 0.000 1.186 873 A CA 2.025 54.272 52.037 0.349 0.000 0.624 873 A CB -0.621 18.631 19.000 0.421 0.000 0.822 873 A HN 0.572 nan 8.150 nan 0.000 0.444 874 E N -1.513 118.813 120.200 0.210 0.000 2.110 874 E HA -0.185 4.164 4.350 -0.001 0.000 0.193 874 E C 1.810 178.563 176.600 0.254 0.000 0.988 874 E CA 1.387 57.906 56.400 0.197 0.000 0.804 874 E CB -0.425 29.349 29.700 0.124 0.000 0.745 874 E HN 0.737 nan 8.360 nan 0.000 0.458 875 Y N 0.963 121.297 120.300 0.057 0.000 2.145 875 Y HA -0.134 4.415 4.550 -0.001 0.000 0.286 875 Y C 2.310 178.207 175.900 -0.005 0.000 1.145 875 Y CA 1.776 59.879 58.100 0.004 0.000 1.148 875 Y CB -0.791 37.637 38.460 -0.054 0.000 0.981 875 Y HN 0.043 nan 8.280 nan 0.000 0.507 876 G N -0.942 107.886 108.800 0.046 0.000 2.408 876 G HA2 -0.315 3.644 3.960 -0.001 0.000 0.217 876 G HA3 -0.315 3.644 3.960 -0.001 0.000 0.217 876 G C 1.681 176.563 174.900 -0.031 0.000 1.150 876 G CA 0.713 45.768 45.100 -0.075 0.000 0.776 876 G HN 0.473 nan 8.290 nan 0.000 0.542 877 F N 2.522 122.435 119.950 -0.062 0.000 2.161 877 F HA 0.011 4.537 4.527 -0.001 0.000 0.300 877 F C 2.508 178.252 175.800 -0.093 0.000 1.089 877 F CA 1.366 59.329 58.000 -0.063 0.000 1.282 877 F CB -0.360 38.634 39.000 -0.009 0.000 1.010 877 F HN 0.115 nan 8.300 nan 0.000 0.485 878 G N 0.063 108.846 108.800 -0.028 0.000 2.402 878 G HA2 -0.247 3.712 3.960 -0.001 0.000 0.216 878 G HA3 -0.247 3.712 3.960 -0.001 0.000 0.216 878 G C 1.689 176.438 174.900 -0.253 0.000 1.162 878 G CA 0.909 45.934 45.100 -0.124 0.000 0.777 878 G HN 0.369 nan 8.290 nan 0.000 0.539 879 M N 0.857 120.256 119.600 -0.334 0.000 2.108 879 M HA -0.108 4.371 4.480 -0.001 0.000 0.261 879 M C 2.476 178.485 176.300 -0.486 0.000 1.066 879 M CA 1.498 56.511 55.300 -0.479 0.000 1.107 879 M CB -0.475 31.748 32.600 -0.627 0.000 1.356 879 M HN 0.374 nan 8.290 nan 0.000 0.406 880 N N 0.918 119.370 118.700 -0.415 0.000 2.120 880 N HA -0.181 4.558 4.740 -0.001 0.000 0.188 880 N C 1.650 176.967 175.510 -0.321 0.000 1.024 880 N CA 1.594 54.426 53.050 -0.363 0.000 0.852 880 N CB -0.101 38.179 38.487 -0.345 0.000 1.003 880 N HN 0.392 nan 8.380 nan 0.000 0.424 881 M N 0.255 119.613 119.600 -0.404 0.000 2.117 881 M HA -0.115 4.364 4.480 -0.001 0.000 0.262 881 M C 2.579 178.818 176.300 -0.101 0.000 1.065 881 M CA 1.336 56.468 55.300 -0.281 0.000 1.114 881 M CB -0.312 32.097 32.600 -0.319 0.000 1.361 881 M HN 0.178 nan 8.290 nan 0.000 0.408 882 S N 0.290 115.902 115.700 -0.147 0.000 2.356 882 S HA -0.154 4.315 4.470 -0.001 0.000 0.223 882 S C 1.973 176.534 174.600 -0.065 0.000 1.032 882 S CA 1.215 59.360 58.200 -0.093 0.000 1.005 882 S CB 0.002 63.127 63.200 -0.125 0.000 0.867 882 S HN 0.281 nan 8.310 nan 0.000 0.449 883 M N 0.409 119.935 119.600 -0.123 0.000 2.080 883 M HA -0.009 4.470 4.480 -0.001 0.000 0.260 883 M C 1.965 178.261 176.300 -0.005 0.000 1.068 883 M CA 1.333 56.593 55.300 -0.066 0.000 1.109 883 M CB -1.762 30.766 32.600 -0.121 0.000 1.342 883 M HN 0.518 nan 8.290 nan 0.000 0.405 884 F N 0.984 120.864 119.950 -0.118 0.000 2.095 884 F HA -0.207 4.319 4.527 -0.001 0.000 0.298 884 F C 2.310 178.087 175.800 -0.038 0.000 1.104 884 F CA 2.014 59.963 58.000 -0.084 0.000 1.232 884 F CB -0.384 38.537 39.000 -0.133 0.000 0.987 884 F HN 0.140 nan 8.300 nan 0.000 0.475 885 A N 0.421 123.270 122.820 0.049 0.000 1.898 885 A HA -0.134 4.185 4.320 -0.001 0.000 0.216 885 A C 2.303 179.869 177.584 -0.031 0.000 1.181 885 A CA 1.579 53.612 52.037 -0.006 0.000 0.620 885 A CB -0.627 18.410 19.000 0.061 0.000 0.819 885 A HN 0.458 nan 8.150 nan 0.000 0.442 886 R N -0.726 119.778 120.500 0.006 0.000 2.090 886 R HA 0.008 4.348 4.340 -0.001 0.000 0.228 886 R C 2.297 178.625 176.300 0.047 0.000 1.110 886 R CA 1.238 57.370 56.100 0.054 0.000 0.973 886 R CB -0.229 30.096 30.300 0.042 0.000 0.869 886 R HN 0.441 nan 8.270 nan 0.000 0.440 887 R N -0.310 120.198 120.500 0.012 0.000 2.193 887 R HA 0.020 4.359 4.340 -0.001 0.000 0.213 887 R C 1.843 178.167 176.300 0.041 0.000 1.055 887 R CA 1.122 57.270 56.100 0.079 0.000 0.995 887 R CB -0.045 30.325 30.300 0.116 0.000 0.893 887 R HN 0.126 nan 8.270 nan 0.000 0.459 888 T N -0.324 114.142 114.554 -0.147 0.000 2.904 888 T HA -0.140 4.209 4.350 -0.001 0.000 0.267 888 T C 1.524 176.230 174.700 0.010 0.000 1.059 888 T CA 1.042 63.028 62.100 -0.190 0.000 1.137 888 T CB -0.169 68.429 68.868 -0.449 0.000 0.879 888 T HN 0.456 nan 8.240 nan 0.000 0.467 889 H N 0.244 119.268 119.070 -0.077 0.000 2.293 889 H HA -0.059 4.496 4.556 -0.001 0.000 0.300 889 H C 2.363 177.681 175.328 -0.017 0.000 1.082 889 H CA 1.114 57.138 56.048 -0.039 0.000 1.308 889 H CB -0.116 29.626 29.762 -0.034 0.000 1.375 889 H HN 0.166 nan 8.280 nan 0.000 0.495 890 L N 1.308 122.548 121.223 0.028 0.000 1.990 890 L HA -0.180 4.160 4.340 -0.001 0.000 0.213 890 L C 2.598 179.475 176.870 0.011 0.000 1.072 890 L CA 2.154 56.941 54.840 -0.088 0.000 0.755 890 L CB -1.166 40.821 42.059 -0.121 0.000 0.889 890 L HN 0.379 nan 8.230 nan 0.000 0.432 891 A N -1.043 121.910 122.820 0.221 0.000 1.908 891 A HA -0.293 4.026 4.320 -0.001 0.000 0.218 891 A C 2.213 179.886 177.584 0.148 0.000 1.181 891 A CA 2.024 54.262 52.037 0.336 0.000 0.627 891 A CB -1.043 18.100 19.000 0.239 0.000 0.818 891 A HN 0.657 nan 8.150 nan 0.000 0.445 892 D N -0.563 119.899 120.400 0.103 0.000 2.097 892 D HA -0.129 4.510 4.640 -0.001 0.000 0.195 892 D C 1.821 178.161 176.300 0.067 0.000 0.989 892 D CA 1.217 55.265 54.000 0.080 0.000 0.827 892 D CB -0.061 40.800 40.800 0.102 0.000 0.966 892 D HN 0.236 nan 8.370 nan 0.000 0.456 893 L N 1.042 122.299 121.223 0.056 0.000 2.093 893 L HA -0.072 4.267 4.340 -0.001 0.000 0.208 893 L C 2.529 179.389 176.870 -0.016 0.000 1.085 893 L CA 1.429 56.271 54.840 0.004 0.000 0.755 893 L CB -1.126 40.889 42.059 -0.073 0.000 0.904 893 L HN -0.032 nan 8.230 nan 0.000 0.435 894 A N -0.759 122.052 122.820 -0.016 0.000 1.877 894 A HA -0.174 4.146 4.320 -0.001 0.000 0.216 894 A C 2.476 180.072 177.584 0.021 0.000 1.186 894 A CA 1.900 53.932 52.037 -0.009 0.000 0.620 894 A CB -0.994 18.041 19.000 0.058 0.000 0.822 894 A HN 0.401 nan 8.150 nan 0.000 0.443 895 A N -0.357 122.488 122.820 0.042 0.000 1.933 895 A HA -0.173 4.146 4.320 -0.001 0.000 0.218 895 A C 2.115 179.706 177.584 0.012 0.000 1.175 895 A CA 1.816 53.869 52.037 0.026 0.000 0.628 895 A CB -0.417 18.599 19.000 0.027 0.000 0.814 895 A HN 0.555 nan 8.150 nan 0.000 0.444 896 K N -0.443 119.964 120.400 0.012 0.000 2.057 896 K HA -0.029 4.290 4.320 -0.001 0.000 0.206 896 K C 2.267 178.866 176.600 -0.001 0.000 1.050 896 K CA 1.045 57.336 56.287 0.006 0.000 0.935 896 K CB -0.310 32.197 32.500 0.011 0.000 0.715 896 K HN 0.437 nan 8.250 nan 0.000 0.439 897 A N 1.501 124.317 122.820 -0.007 0.000 2.019 897 A HA -0.102 4.217 4.320 -0.001 0.000 0.219 897 A C 2.068 179.646 177.584 -0.011 0.000 1.164 897 A CA 1.047 53.076 52.037 -0.014 0.000 0.644 897 A CB -0.533 18.451 19.000 -0.027 0.000 0.805 897 A HN 0.163 nan 8.150 nan 0.000 0.449 898 L N -0.581 120.638 121.223 -0.007 0.000 2.131 898 L HA -0.128 4.212 4.340 -0.001 0.000 0.210 898 L C 1.057 177.923 176.870 -0.006 0.000 1.092 898 L CA 1.026 55.862 54.840 -0.007 0.000 0.759 898 L CB -0.282 41.774 42.059 -0.005 0.000 0.903 898 L HN 0.437 nan 8.230 nan 0.000 0.435 899 E N 0.164 120.362 120.200 -0.005 0.000 2.364 899 E HA 0.108 4.457 4.350 -0.001 0.000 0.270 899 E C -0.067 176.531 176.600 -0.004 0.000 1.398 899 E CA -0.204 56.194 56.400 -0.004 0.000 1.721 899 E CB 0.281 29.979 29.700 -0.003 0.000 1.525 899 E HN 0.342 nan 8.360 nan 0.000 0.446 900 S N -0.382 115.315 115.700 -0.005 0.000 2.776 900 S HA 0.182 4.652 4.470 -0.001 0.000 0.292 900 S C -0.155 174.442 174.600 -0.005 0.000 1.187 900 S CA -0.958 57.239 58.200 -0.005 0.000 0.834 900 S CB 1.154 64.351 63.200 -0.006 0.000 1.199 900 S HN 0.108 nan 8.310 nan 0.000 0.514 901 D N 0.570 120.967 120.400 -0.005 0.000 2.413 901 D HA 0.374 5.013 4.640 -0.001 0.000 0.237 901 D C 0.698 176.996 176.300 -0.005 0.000 1.171 901 D CA -0.176 53.822 54.000 -0.004 0.000 0.839 901 D CB -0.681 40.117 40.800 -0.003 0.000 0.950 901 D HN 0.784 nan 8.370 nan 0.000 0.499 902 A N 0.764 123.580 122.820 -0.006 0.000 2.483 902 A HA 0.394 4.713 4.320 -0.001 0.000 0.238 902 A C 0.966 178.547 177.584 -0.004 0.000 1.070 902 A CA -0.175 51.858 52.037 -0.007 0.000 0.770 902 A CB 0.133 19.126 19.000 -0.011 0.000 1.008 902 A HN 0.437 nan 8.150 nan 0.000 0.497 903 S N 1.591 117.289 115.700 -0.003 0.000 2.569 903 S HA 0.258 4.727 4.470 -0.001 0.000 0.274 903 S C 1.427 176.028 174.600 0.002 0.000 1.353 903 S CA -0.024 58.176 58.200 0.000 0.000 1.023 903 S CB 0.517 63.718 63.200 0.002 0.000 0.876 903 S HN 1.497 nan 8.310 nan 0.000 0.540 904 G N 0.916 109.718 108.800 0.005 0.000 2.440 904 G HA2 -0.199 3.761 3.960 -0.001 0.000 0.218 904 G HA3 -0.199 3.761 3.960 -0.001 0.000 0.218 904 G C 0.967 175.875 174.900 0.013 0.000 1.154 904 G CA 0.947 46.052 45.100 0.008 0.000 0.767 904 G HN 0.777 nan 8.290 nan 0.000 0.552 905 D N 0.212 120.622 120.400 0.016 0.000 2.084 905 D HA -0.089 4.550 4.640 -0.001 0.000 0.194 905 D C 2.830 179.145 176.300 0.026 0.000 0.990 905 D CA 0.863 54.878 54.000 0.025 0.000 0.826 905 D CB -0.699 40.114 40.800 0.022 0.000 0.971 905 D HN 0.162 nan 8.370 nan 0.000 0.453 906 V N 1.439 121.361 119.914 0.013 0.000 2.252 906 V HA -0.294 3.825 4.120 -0.001 0.000 0.249 906 V C 2.359 178.453 176.094 0.001 0.000 1.056 906 V CA 1.830 64.132 62.300 0.003 0.000 1.022 906 V CB -0.419 31.399 31.823 -0.008 0.000 0.641 906 V HN 0.223 nan 8.190 nan 0.000 0.445 907 K N -0.451 119.949 120.400 -0.000 0.000 2.103 907 K HA -0.264 4.055 4.320 -0.001 0.000 0.207 907 K C 2.232 178.831 176.600 -0.003 0.000 1.048 907 K CA 1.833 58.117 56.287 -0.005 0.000 0.930 907 K CB -0.240 32.257 32.500 -0.005 0.000 0.716 907 K HN 0.562 nan 8.250 nan 0.000 0.444 908 E N 0.544 120.752 120.200 0.013 0.000 2.077 908 E HA -0.185 4.164 4.350 -0.001 0.000 0.193 908 E C 1.967 178.588 176.600 0.035 0.000 0.989 908 E CA 1.010 57.423 56.400 0.023 0.000 0.800 908 E CB 0.010 29.741 29.700 0.052 0.000 0.746 908 E HN 0.332 nan 8.360 nan 0.000 0.452 909 A N 0.724 123.594 122.820 0.083 0.000 1.898 909 A HA -0.134 4.186 4.320 -0.001 0.000 0.216 909 A C 2.045 179.668 177.584 0.066 0.000 1.181 909 A CA 0.775 52.912 52.037 0.166 0.000 0.620 909 A CB -0.455 18.622 19.000 0.129 0.000 0.819 909 A HN 0.247 nan 8.150 nan 0.000 0.442 910 L N -0.386 120.844 121.223 0.011 0.000 2.012 910 L HA -0.188 4.151 4.340 -0.001 0.000 0.210 910 L C 2.602 179.486 176.870 0.023 0.000 1.073 910 L CA 2.358 57.206 54.840 0.013 0.000 0.748 910 L CB -1.140 40.910 42.059 -0.016 0.000 0.891 910 L HN 0.548 nan 8.230 nan 0.000 0.431 911 Q N -0.622 119.149 119.800 -0.050 0.000 2.170 911 Q HA -0.090 4.249 4.340 -0.001 0.000 0.203 911 Q C 2.103 177.953 176.000 -0.251 0.000 0.976 911 Q CA 1.757 57.498 55.803 -0.104 0.000 0.858 911 Q CB -0.620 28.062 28.738 -0.093 0.000 0.907 911 Q HN 0.445 nan 8.270 nan 0.000 0.433 912 G N -0.826 107.694 108.800 -0.467 0.000 2.394 912 G HA2 -0.257 3.702 3.960 -0.001 0.000 0.215 912 G HA3 -0.257 3.702 3.960 -0.001 0.000 0.215 912 G C 1.154 175.605 174.900 -0.748 0.000 1.165 912 G CA 0.517 44.883 45.100 -1.223 0.000 0.784 912 G HN 0.534 nan 8.290 nan 0.000 0.535 913 W N 0.947 122.007 121.300 -0.401 0.000 2.354 913 W HA -0.034 4.626 4.660 -0.001 0.000 0.315 913 W C 2.189 178.623 176.519 -0.141 0.000 1.206 913 W CA 0.848 58.105 57.345 -0.147 0.000 1.290 913 W CB -0.336 29.044 29.460 -0.134 0.000 1.152 913 W HN 0.058 nan 8.180 nan 0.000 0.489 914 L N 1.118 122.279 121.223 -0.104 0.000 2.043 914 L HA -0.211 4.128 4.340 -0.001 0.000 0.212 914 L C 2.527 179.184 176.870 -0.355 0.000 1.075 914 L CA 2.422 57.105 54.840 -0.262 0.000 0.752 914 L CB -2.166 39.863 42.059 -0.050 0.000 0.891 914 L HN 0.220 nan 8.230 nan 0.000 0.432 915 A N -1.233 121.416 122.820 -0.286 0.000 2.066 915 A HA 0.076 4.395 4.320 -0.001 0.000 0.218 915 A C 2.011 179.450 177.584 -0.243 0.000 1.157 915 A CA 1.365 53.260 52.037 -0.236 0.000 0.670 915 A CB -0.637 18.243 19.000 -0.200 0.000 0.804 915 A HN 0.457 nan 8.150 nan 0.000 0.453 916 G N -0.219 108.395 108.800 -0.309 0.000 3.651 916 G HA2 0.215 4.174 3.960 -0.001 0.000 0.279 916 G HA3 0.215 4.174 3.960 -0.001 0.000 0.279 916 G C 1.081 175.756 174.900 -0.375 0.000 1.024 916 G CA 0.530 45.491 45.100 -0.231 0.000 0.813 916 G HN 0.648 nan 8.290 nan 0.000 0.518 917 K N 0.539 120.523 120.400 -0.694 0.000 2.077 917 K HA -0.207 4.112 4.320 -0.001 0.000 0.213 917 K C 1.199 177.573 176.600 -0.376 0.000 1.051 917 K CA 1.961 57.696 56.287 -0.920 0.000 0.929 917 K CB -0.396 31.462 32.500 -1.070 0.000 0.715 917 K HN 0.293 nan 8.250 nan 0.000 0.451 918 N N 0.900 119.453 118.700 -0.245 0.000 2.276 918 N HA 0.026 4.765 4.740 -0.001 0.000 0.212 918 N C -1.144 174.327 175.510 -0.065 0.000 1.127 918 N CA -0.171 52.810 53.050 -0.116 0.000 0.834 918 N CB 0.375 38.803 38.487 -0.098 0.000 1.014 918 N HN 0.329 nan 8.380 nan 0.000 0.491 919 D N -0.048 120.313 120.400 -0.064 0.000 2.381 919 D HA 0.220 4.860 4.640 -0.001 0.000 0.235 919 D C -1.894 174.426 176.300 0.033 0.000 1.068 919 D CA -2.444 51.550 54.000 -0.010 0.000 0.832 919 D CB 1.778 42.572 40.800 -0.011 0.000 1.101 919 D HN -0.195 nan 8.370 nan 0.000 0.515 920 P HA -0.184 nan 4.420 nan 0.000 0.216 920 P C 1.002 178.363 177.300 0.102 0.000 1.157 920 P CA 0.960 64.120 63.100 0.100 0.000 0.880 920 P CB 0.197 31.970 31.700 0.122 0.000 0.791 921 I N -1.057 119.565 120.570 0.087 0.000 2.133 921 I HA -0.201 3.968 4.170 -0.001 0.000 0.238 921 I C 2.191 178.358 176.117 0.082 0.000 1.074 921 I CA 1.746 63.093 61.300 0.078 0.000 1.342 921 I CB -0.989 37.050 38.000 0.065 0.000 1.053 921 I HN -0.215 nan 8.210 nan 0.000 0.404 922 K N 0.777 121.235 120.400 0.096 0.000 2.057 922 K HA -0.054 4.265 4.320 -0.001 0.000 0.206 922 K C 2.356 179.090 176.600 0.222 0.000 1.050 922 K CA 1.729 58.116 56.287 0.166 0.000 0.935 922 K CB -0.920 31.685 32.500 0.175 0.000 0.715 922 K HN 0.510 nan 8.250 nan 0.000 0.439 923 S N 1.224 117.006 115.700 0.138 0.000 2.383 923 S HA -0.169 4.300 4.470 -0.001 0.000 0.229 923 S C 2.111 176.903 174.600 0.320 0.000 1.030 923 S CA 1.389 59.706 58.200 0.196 0.000 1.002 923 S CB -0.153 63.121 63.200 0.124 0.000 0.829 923 S HN 0.296 nan 8.310 nan 0.000 0.467 924 K N 1.300 121.826 120.400 0.211 0.000 2.062 924 K HA -0.077 4.243 4.320 -0.001 0.000 0.205 924 K C 2.421 179.096 176.600 0.126 0.000 1.051 924 K CA 1.278 57.674 56.287 0.181 0.000 0.941 924 K CB -0.257 32.320 32.500 0.128 0.000 0.719 924 K HN 0.611 nan 8.250 nan 0.000 0.440 925 E N -0.374 119.861 120.200 0.057 0.000 2.038 925 E HA -0.225 4.124 4.350 -0.001 0.000 0.195 925 E C 1.707 178.203 176.600 -0.172 0.000 1.000 925 E CA 1.542 57.881 56.400 -0.101 0.000 0.803 925 E CB -0.151 29.408 29.700 -0.236 0.000 0.750 925 E HN 0.425 nan 8.360 nan 0.000 0.448 926 Y N -0.276 120.088 120.300 0.107 0.000 2.337 926 Y HA 0.041 4.591 4.550 -0.001 0.000 0.293 926 Y C 2.394 178.336 175.900 0.070 0.000 1.123 926 Y CA 0.860 59.020 58.100 0.099 0.000 1.201 926 Y CB -0.352 38.188 38.460 0.133 0.000 1.011 926 Y HN 0.185 nan 8.280 nan 0.000 0.545 927 G N -0.084 108.871 108.800 0.258 0.000 2.418 927 G HA2 -0.240 3.720 3.960 -0.001 0.000 0.217 927 G HA3 -0.240 3.720 3.960 -0.001 0.000 0.217 927 G C 1.226 176.234 174.900 0.180 0.000 1.158 927 G CA 1.284 46.446 45.100 0.102 0.000 0.771 927 G HN 0.252 nan 8.290 nan 0.000 0.545 928 D N 0.632 121.125 120.400 0.155 0.000 2.182 928 D HA -0.055 4.584 4.640 -0.001 0.000 0.201 928 D C 2.458 178.801 176.300 0.071 0.000 0.986 928 D CA 0.818 54.884 54.000 0.111 0.000 0.847 928 D CB -0.084 40.752 40.800 0.060 0.000 0.942 928 D HN 0.329 nan 8.370 nan 0.000 0.467 929 K N -0.006 120.419 120.400 0.041 0.000 2.057 929 K HA -0.049 4.271 4.320 -0.001 0.000 0.206 929 K C 2.005 178.626 176.600 0.035 0.000 1.050 929 K CA 0.310 56.615 56.287 0.029 0.000 0.935 929 K CB 0.075 32.592 32.500 0.028 0.000 0.715 929 K HN 0.053 nan 8.250 nan 0.000 0.439 930 L N 1.904 123.133 121.223 0.009 0.000 2.012 930 L HA -0.190 4.149 4.340 -0.001 0.000 0.210 930 L C 2.004 178.934 176.870 0.101 0.000 1.073 930 L CA 1.797 56.621 54.840 -0.025 0.000 0.748 930 L CB -0.971 40.905 42.059 -0.305 0.000 0.891 930 L HN 0.180 nan 8.230 nan 0.000 0.431 931 K N -0.238 120.285 120.400 0.206 0.000 2.113 931 K HA -0.224 4.095 4.320 -0.001 0.000 0.208 931 K C 2.114 178.759 176.600 0.074 0.000 1.047 931 K CA 1.478 57.862 56.287 0.163 0.000 0.928 931 K CB -0.050 32.527 32.500 0.128 0.000 0.716 931 K HN 0.348 nan 8.250 nan 0.000 0.446 932 K N 0.664 121.097 120.400 0.056 0.000 2.021 932 K HA -0.017 4.302 4.320 -0.001 0.000 0.205 932 K C 2.191 178.806 176.600 0.025 0.000 1.047 932 K CA 0.850 57.156 56.287 0.032 0.000 0.943 932 K CB -0.116 32.399 32.500 0.024 0.000 0.725 932 K HN 0.006 nan 8.250 nan 0.000 0.439 933 L N 1.069 122.306 121.223 0.024 0.000 2.042 933 L HA -0.178 4.162 4.340 -0.001 0.000 0.210 933 L C 1.953 178.830 176.870 0.012 0.000 1.076 933 L CA 1.178 56.027 54.840 0.015 0.000 0.749 933 L CB -0.281 41.785 42.059 0.012 0.000 0.893 933 L HN 0.179 nan 8.230 nan 0.000 0.432 934 L N -0.393 120.841 121.223 0.019 0.000 2.611 934 L HA 0.230 4.569 4.340 -0.001 0.000 0.229 934 L C 1.116 177.995 176.870 0.015 0.000 1.137 934 L CA -0.680 54.169 54.840 0.015 0.000 0.901 934 L CB -0.535 41.537 42.059 0.022 0.000 1.098 934 L HN 0.091 nan 8.230 nan 0.000 0.456 935 A N 0.429 123.259 122.820 0.015 0.000 2.565 935 A HA 0.333 4.653 4.320 -0.001 0.000 0.237 935 A C 1.549 179.133 177.584 0.000 0.000 1.053 935 A CA 0.894 52.935 52.037 0.007 0.000 0.755 935 A CB -0.184 18.820 19.000 0.007 0.000 0.980 935 A HN 0.625 nan 8.150 nan 0.000 0.506 936 G N 0.668 109.465 108.800 -0.005 0.000 2.284 936 G HA2 -0.315 3.645 3.960 -0.001 0.000 0.261 936 G HA3 -0.315 3.645 3.960 -0.001 0.000 0.261 936 G C 0.530 175.425 174.900 -0.008 0.000 0.997 936 G CA 0.913 46.009 45.100 -0.007 0.000 0.621 936 G HN 1.322 nan 8.290 nan 0.000 0.534 937 Q N 0.828 120.623 119.800 -0.007 0.000 2.300 937 Q HA 0.557 4.896 4.340 -0.001 0.000 0.280 937 Q C 0.915 176.908 176.000 -0.012 0.000 1.033 937 Q CA 1.098 56.896 55.803 -0.008 0.000 0.903 937 Q CB 0.457 29.191 28.738 -0.007 0.000 1.195 937 Q HN 0.470 nan 8.270 nan 0.000 0.386 938 K N 2.412 122.804 120.400 -0.013 0.000 2.553 938 K HA 0.210 4.529 4.320 -0.001 0.000 0.205 938 K C -1.118 175.474 176.600 -0.014 0.000 1.168 938 K CA -0.040 56.238 56.287 -0.015 0.000 1.043 938 K CB 0.850 33.342 32.500 -0.014 0.000 0.967 938 K HN 0.644 nan 8.250 nan 0.000 0.585 939 D N -0.209 120.184 120.400 -0.012 0.000 2.433 939 D HA 0.515 5.154 4.640 -0.001 0.000 0.236 939 D C 0.481 176.774 176.300 -0.012 0.000 1.026 939 D CA -0.100 53.894 54.000 -0.011 0.000 0.884 939 D CB 1.616 42.412 40.800 -0.008 0.000 1.384 939 D HN 0.083 nan 8.370 nan 0.000 0.477 940 G N -0.083 108.711 108.800 -0.010 0.000 2.598 940 G HA2 -0.321 3.638 3.960 -0.001 0.000 0.269 940 G HA3 -0.321 3.638 3.960 -0.001 0.000 0.269 940 G C 0.851 175.742 174.900 -0.015 0.000 1.289 940 G CA 0.029 45.123 45.100 -0.010 0.000 0.926 940 G HN 0.510 nan 8.290 nan 0.000 0.567 941 L N -1.174 120.040 121.223 -0.015 0.000 1.971 941 L HA -0.153 4.186 4.340 -0.001 0.000 0.215 941 L C 3.145 179.995 176.870 -0.034 0.000 1.072 941 L CA 1.874 56.700 54.840 -0.023 0.000 0.758 941 L CB -0.610 41.438 42.059 -0.019 0.000 0.889 941 L HN 0.499 nan 8.230 nan 0.000 0.433 942 L N 0.004 121.210 121.223 -0.028 0.000 2.081 942 L HA -0.177 4.162 4.340 -0.001 0.000 0.212 942 L C 2.561 179.414 176.870 -0.027 0.000 1.080 942 L CA 2.093 56.915 54.840 -0.030 0.000 0.754 942 L CB -1.667 40.380 42.059 -0.021 0.000 0.893 942 L HN 0.257 nan 8.230 nan 0.000 0.433 943 G N -1.834 106.952 108.800 -0.025 0.000 2.402 943 G HA2 -0.247 3.712 3.960 -0.001 0.000 0.216 943 G HA3 -0.247 3.712 3.960 -0.001 0.000 0.216 943 G C 1.501 176.379 174.900 -0.037 0.000 1.162 943 G CA 0.449 45.534 45.100 -0.025 0.000 0.777 943 G HN 0.449 nan 8.290 nan 0.000 0.539 944 Q N -0.203 119.569 119.800 -0.046 0.000 2.084 944 Q HA 0.014 4.354 4.340 -0.001 0.000 0.202 944 Q C 2.631 178.576 176.000 -0.091 0.000 0.978 944 Q CA 0.964 56.723 55.803 -0.073 0.000 0.844 944 Q CB -0.195 28.493 28.738 -0.083 0.000 0.898 944 Q HN 0.508 nan 8.270 nan 0.000 0.426 945 I N 0.639 121.163 120.570 -0.078 0.000 2.226 945 I HA -0.252 3.917 4.170 -0.001 0.000 0.245 945 I C 2.424 178.554 176.117 0.022 0.000 1.100 945 I CA 0.882 62.144 61.300 -0.064 0.000 1.374 945 I CB -0.499 37.446 38.000 -0.092 0.000 1.057 945 I HN 0.158 nan 8.210 nan 0.000 0.413 946 A N 0.958 123.783 122.820 0.008 0.000 1.933 946 A HA -0.122 4.197 4.320 -0.001 0.000 0.218 946 A C 2.433 179.988 177.584 -0.048 0.000 1.175 946 A CA 1.750 53.801 52.037 0.024 0.000 0.628 946 A CB -0.673 18.327 19.000 -0.000 0.000 0.814 946 A HN 0.435 nan 8.150 nan 0.000 0.444 947 A N -1.202 121.577 122.820 -0.068 0.000 2.239 947 A HA 0.221 4.540 4.320 -0.001 0.000 0.209 947 A C 1.661 179.159 177.584 -0.144 0.000 1.171 947 A CA 0.980 52.959 52.037 -0.096 0.000 0.768 947 A CB -0.520 18.437 19.000 -0.073 0.000 0.790 947 A HN 0.519 nan 8.150 nan 0.000 0.478 948 M N -0.087 119.411 119.600 -0.170 0.000 2.560 948 M HA 0.032 4.511 4.480 -0.001 0.000 0.297 948 M C 1.693 177.678 176.300 -0.524 0.000 1.201 948 M CA 0.477 55.647 55.300 -0.217 0.000 0.973 948 M CB 0.253 32.775 32.600 -0.129 0.000 1.401 948 M HN 0.497 nan 8.290 nan 0.000 0.497 949 S N 0.659 115.848 115.700 -0.851 0.000 2.420 949 S HA -0.191 4.278 4.470 -0.001 0.000 0.237 949 S C 1.331 175.402 174.600 -0.881 0.000 1.023 949 S CA 1.802 59.011 58.200 -1.651 0.000 0.991 949 S CB -0.550 62.111 63.200 -0.898 0.000 0.792 949 S HN 0.637 nan 8.310 nan 0.000 0.488 950 D N 1.031 121.174 120.400 -0.428 0.000 2.352 950 D HA 0.029 4.668 4.640 -0.001 0.000 0.232 950 D C 1.226 177.468 176.300 -0.097 0.000 1.055 950 D CA 0.212 54.090 54.000 -0.205 0.000 0.891 950 D CB -0.410 40.314 40.800 -0.128 0.000 0.897 950 D HN 0.531 nan 8.370 nan 0.000 0.529 951 L N -1.327 119.823 121.223 -0.121 0.000 2.817 951 L HA 0.198 4.537 4.340 -0.001 0.000 0.248 951 L C 1.710 178.728 176.870 0.245 0.000 1.133 951 L CA -0.369 54.511 54.840 0.067 0.000 0.935 951 L CB -0.070 42.019 42.059 0.050 0.000 1.266 951 L HN -0.029 nan 8.230 nan 0.000 0.535 952 Y N 0.825 121.141 120.300 0.027 0.000 2.070 952 Y HA -0.214 4.336 4.550 -0.001 0.000 0.280 952 Y C 1.939 178.075 175.900 0.393 0.000 1.148 952 Y CA 1.147 59.302 58.100 0.093 0.000 1.125 952 Y CB -0.238 38.203 38.460 -0.031 0.000 0.975 952 Y HN 0.163 nan 8.280 nan 0.000 0.492 953 T N 0.677 115.477 114.554 0.411 0.000 2.856 953 T HA 0.148 4.498 4.350 -0.001 0.000 0.292 953 T C -0.410 174.446 174.700 0.261 0.000 0.980 953 T CA -0.932 61.362 62.100 0.323 0.000 1.091 953 T CB 1.323 70.325 68.868 0.224 0.000 0.936 953 T HN 0.109 nan 8.240 nan 0.000 0.503 954 K N 3.257 123.784 120.400 0.211 0.000 2.511 954 K HA 0.055 4.374 4.320 -0.001 0.000 0.280 954 K C 0.181 176.881 176.600 0.167 0.000 1.008 954 K CA -0.076 56.306 56.287 0.159 0.000 1.050 954 K CB 0.337 32.890 32.500 0.088 0.000 0.889 954 K HN 0.495 nan 8.250 nan 0.000 0.484 955 K N 1.724 122.236 120.400 0.187 0.000 2.087 955 K HA 0.151 4.470 4.320 -0.001 0.000 0.255 955 K C -0.438 176.282 176.600 0.200 0.000 0.988 955 K CA -0.447 55.989 56.287 0.248 0.000 0.915 955 K CB 1.804 34.568 32.500 0.440 0.000 1.043 955 K HN 0.483 nan 8.250 nan 0.000 0.457 956 S N 1.116 116.973 115.700 0.261 0.000 2.594 956 S HA 0.273 4.742 4.470 -0.001 0.000 0.322 956 S C -0.849 173.945 174.600 0.323 0.000 1.085 956 S CA -0.694 57.635 58.200 0.215 0.000 1.116 956 S CB 0.347 63.710 63.200 0.271 0.000 0.979 956 S HN 0.244 nan 8.310 nan 0.000 0.465 957 V N 6.175 126.146 119.914 0.096 0.000 2.408 957 V HA 0.410 4.529 4.120 -0.001 0.000 0.267 957 V C -0.635 175.417 176.094 -0.070 0.000 1.047 957 V CA -0.239 62.099 62.300 0.064 0.000 0.937 957 V CB 0.204 31.962 31.823 -0.109 0.000 0.999 957 V HN 0.834 nan 8.190 nan 0.000 0.472 958 W N 5.101 126.394 121.300 -0.011 0.000 2.761 958 W HA 0.692 5.351 4.660 -0.001 0.000 0.340 958 W C -0.589 175.889 176.519 -0.069 0.000 1.072 958 W CA -0.724 56.626 57.345 0.008 0.000 1.215 958 W CB 1.524 30.976 29.460 -0.013 0.000 1.420 958 W HN 0.217 nan 8.180 nan 0.000 0.519 959 I N 3.723 124.478 120.570 0.308 0.000 2.382 959 I HA 0.345 4.514 4.170 -0.001 0.000 0.286 959 I C -0.673 175.723 176.117 0.464 0.000 1.002 959 I CA -1.378 60.038 61.300 0.194 0.000 1.135 959 I CB -0.096 38.020 38.000 0.193 0.000 1.288 959 I HN 0.303 nan 8.210 nan 0.000 0.448 960 F N 3.583 123.579 119.950 0.077 0.000 2.422 960 F HA 0.765 5.292 4.527 -0.001 0.000 0.333 960 F C 0.843 176.559 175.800 -0.140 0.000 1.095 960 F CA -0.737 57.358 58.000 0.158 0.000 1.038 960 F CB 2.647 41.786 39.000 0.232 0.000 1.156 960 F HN 0.538 nan 8.300 nan 0.000 0.483 961 G N 0.977 109.888 108.800 0.186 0.000 2.579 961 G HA2 0.455 4.414 3.960 -0.001 0.000 0.292 961 G HA3 0.455 4.414 3.960 -0.001 0.000 0.292 961 G C -1.221 173.910 174.900 0.385 0.000 1.484 961 G CA -0.564 44.602 45.100 0.110 0.000 0.813 961 G HN 0.899 nan 8.290 nan 0.000 0.515 962 G N -0.942 108.106 108.800 0.413 0.000 2.543 962 G HA2 0.464 4.424 3.960 -0.001 0.000 0.290 962 G HA3 0.464 4.424 3.960 -0.001 0.000 0.290 962 G C 0.875 176.030 174.900 0.425 0.000 1.310 962 G CA 0.561 45.864 45.100 0.339 0.000 1.025 962 G HN 0.706 nan 8.290 nan 0.000 0.502 963 D N -0.816 119.757 120.400 0.287 0.000 2.178 963 D HA -0.082 4.557 4.640 -0.001 0.000 0.202 963 D C 2.180 178.661 176.300 0.302 0.000 0.974 963 D CA 1.191 55.343 54.000 0.254 0.000 0.841 963 D CB -0.694 40.078 40.800 -0.047 0.000 0.953 963 D HN 0.466 nan 8.370 nan 0.000 0.478 964 G N 0.564 109.558 108.800 0.323 0.000 2.446 964 G HA2 -0.301 3.658 3.960 -0.001 0.000 0.217 964 G HA3 -0.301 3.658 3.960 -0.001 0.000 0.217 964 G C 1.407 176.471 174.900 0.274 0.000 1.168 964 G CA 0.856 46.148 45.100 0.320 0.000 0.771 964 G HN 0.431 nan 8.290 nan 0.000 0.551 965 W N 1.937 123.379 121.300 0.236 0.000 2.354 965 W HA 0.067 4.727 4.660 -0.001 0.000 0.315 965 W C 2.631 179.204 176.519 0.091 0.000 1.206 965 W CA 2.381 59.758 57.345 0.053 0.000 1.290 965 W CB -0.425 29.152 29.460 0.196 0.000 1.152 965 W HN 0.246 nan 8.180 nan 0.000 0.489 966 A N -0.994 121.639 122.820 -0.311 0.000 1.897 966 A HA -0.133 4.187 4.320 -0.001 0.000 0.215 966 A C 1.756 179.193 177.584 -0.245 0.000 1.181 966 A CA 1.605 53.270 52.037 -0.621 0.000 0.620 966 A CB -1.227 17.682 19.000 -0.152 0.000 0.821 966 A HN 0.487 nan 8.150 nan 0.000 0.443 967 Y N -0.145 120.042 120.300 -0.189 0.000 2.503 967 Y HA 0.086 4.635 4.550 -0.001 0.000 0.278 967 Y C 1.517 177.320 175.900 -0.161 0.000 1.111 967 Y CA 0.383 58.348 58.100 -0.225 0.000 1.270 967 Y CB 0.073 38.467 38.460 -0.110 0.000 1.063 967 Y HN 0.300 nan 8.280 nan 0.000 0.548 968 D N -0.864 119.605 120.400 0.115 0.000 2.970 968 D HA 0.034 4.673 4.640 -0.001 0.000 0.236 968 D C 2.043 178.338 176.300 -0.007 0.000 1.415 968 D CA -0.053 54.018 54.000 0.119 0.000 1.279 968 D CB -0.753 40.234 40.800 0.311 0.000 0.932 968 D HN 0.059 nan 8.370 nan 0.000 0.216 969 I N 0.931 121.435 120.570 -0.110 0.000 2.264 969 I HA -0.140 4.030 4.170 -0.001 0.000 0.248 969 I C 1.567 177.504 176.117 -0.299 0.000 1.111 969 I CA 1.729 62.855 61.300 -0.290 0.000 1.382 969 I CB 0.057 37.722 38.000 -0.558 0.000 1.060 969 I HN 0.146 nan 8.210 nan 0.000 0.418 970 G N -1.613 106.943 108.800 -0.407 0.000 3.233 970 G HA2 -0.158 3.801 3.960 -0.001 0.000 0.234 970 G HA3 -0.158 3.801 3.960 -0.001 0.000 0.234 970 G C 1.070 175.726 174.900 -0.407 0.000 1.137 970 G CA -0.198 44.671 45.100 -0.386 0.000 0.763 970 G HN 0.393 nan 8.290 nan 0.000 0.549 971 Y N 2.148 122.187 120.300 -0.436 0.000 2.128 971 Y HA -0.127 4.423 4.550 -0.001 0.000 0.284 971 Y C 2.508 178.278 175.900 -0.217 0.000 1.154 971 Y CA 1.704 59.597 58.100 -0.345 0.000 1.149 971 Y CB -0.598 37.721 38.460 -0.235 0.000 0.976 971 Y HN 0.114 nan 8.280 nan 0.000 0.505 972 G N -0.691 107.892 108.800 -0.362 0.000 2.440 972 G HA2 -0.271 3.688 3.960 -0.001 0.000 0.218 972 G HA3 -0.271 3.688 3.960 -0.001 0.000 0.218 972 G C 1.908 176.645 174.900 -0.271 0.000 1.154 972 G CA 0.915 45.794 45.100 -0.368 0.000 0.767 972 G HN 0.644 nan 8.290 nan 0.000 0.552 973 G N 0.527 109.216 108.800 -0.186 0.000 2.394 973 G HA2 -0.047 3.912 3.960 -0.001 0.000 0.215 973 G HA3 -0.047 3.912 3.960 -0.001 0.000 0.215 973 G C 1.713 176.569 174.900 -0.073 0.000 1.165 973 G CA 0.922 45.968 45.100 -0.089 0.000 0.784 973 G HN 0.392 nan 8.290 nan 0.000 0.535 974 L N 1.300 122.445 121.223 -0.129 0.000 2.046 974 L HA -0.026 4.313 4.340 -0.001 0.000 0.208 974 L C 2.208 178.996 176.870 -0.136 0.000 1.077 974 L CA 2.673 57.459 54.840 -0.091 0.000 0.747 974 L CB -0.822 41.102 42.059 -0.225 0.000 0.896 974 L HN 0.319 nan 8.230 nan 0.000 0.432 975 D N -1.840 118.400 120.400 -0.267 0.000 2.104 975 D HA -0.297 4.342 4.640 -0.001 0.000 0.194 975 D C 2.269 178.460 176.300 -0.182 0.000 0.994 975 D CA 1.581 55.438 54.000 -0.239 0.000 0.830 975 D CB -0.230 40.294 40.800 -0.460 0.000 0.959 975 D HN 0.564 nan 8.370 nan 0.000 0.452 976 H N -0.353 118.569 119.070 -0.247 0.000 2.357 976 H HA -0.059 4.497 4.556 -0.001 0.000 0.301 976 H C 2.098 177.234 175.328 -0.320 0.000 1.082 976 H CA 1.370 57.270 56.048 -0.247 0.000 1.342 976 H CB -0.003 29.617 29.762 -0.237 0.000 1.389 976 H HN 0.115 nan 8.280 nan 0.000 0.511 977 V N 1.299 121.062 119.914 -0.253 0.000 2.358 977 V HA -0.241 3.878 4.120 -0.001 0.000 0.246 977 V C 2.909 178.852 176.094 -0.251 0.000 1.047 977 V CA 1.314 63.400 62.300 -0.357 0.000 1.035 977 V CB -0.495 31.232 31.823 -0.159 0.000 0.658 977 V HN 0.327 nan 8.190 nan 0.000 0.452 978 L N 0.113 121.217 121.223 -0.198 0.000 2.131 978 L HA -0.119 4.220 4.340 -0.001 0.000 0.210 978 L C 2.606 179.284 176.870 -0.320 0.000 1.092 978 L CA 1.443 56.173 54.840 -0.184 0.000 0.759 978 L CB -0.727 41.229 42.059 -0.172 0.000 0.903 978 L HN 0.361 nan 8.230 nan 0.000 0.435 979 A N -0.034 122.471 122.820 -0.525 0.000 2.066 979 A HA -0.144 4.175 4.320 -0.001 0.000 0.218 979 A C 2.469 179.928 177.584 -0.210 0.000 1.157 979 A CA 1.349 53.045 52.037 -0.568 0.000 0.670 979 A CB -0.483 18.149 19.000 -0.612 0.000 0.804 979 A HN 0.508 nan 8.150 nan 0.000 0.453 980 S N -1.165 114.363 115.700 -0.286 0.000 2.442 980 S HA 0.198 4.667 4.470 -0.001 0.000 0.236 980 S C 1.638 176.208 174.600 -0.050 0.000 1.007 980 S CA 1.338 59.420 58.200 -0.197 0.000 0.965 980 S CB -0.769 62.302 63.200 -0.215 0.000 0.773 980 S HN 1.934 nan 8.310 nan 0.000 0.504 981 G N 0.746 109.571 108.800 0.042 0.000 2.148 981 G HA2 -0.249 3.711 3.960 -0.001 0.000 0.254 981 G HA3 -0.249 3.711 3.960 -0.001 0.000 0.254 981 G C -0.175 174.749 174.900 0.040 0.000 0.981 981 G CA 0.412 45.553 45.100 0.067 0.000 0.670 981 G HN 0.657 nan 8.290 nan 0.000 0.528 982 E N 0.006 120.250 120.200 0.073 0.000 2.314 982 E HA 0.346 4.695 4.350 -0.001 0.000 0.262 982 E C -0.586 176.025 176.600 0.019 0.000 1.093 982 E CA -0.747 55.674 56.400 0.035 0.000 0.908 982 E CB 0.725 30.475 29.700 0.083 0.000 1.091 982 E HN 0.080 nan 8.360 nan 0.000 0.425 983 D N 1.949 122.324 120.400 -0.041 0.000 2.498 983 D HA 0.124 4.763 4.640 -0.001 0.000 0.229 983 D C -1.011 175.240 176.300 -0.081 0.000 1.188 983 D CA -0.150 53.809 54.000 -0.068 0.000 1.028 983 D CB -0.352 40.394 40.800 -0.091 0.000 1.087 983 D HN 0.253 nan 8.370 nan 0.000 0.510 984 V N 0.605 120.483 119.914 -0.059 0.000 3.040 984 V HA 0.672 4.791 4.120 -0.001 0.000 0.312 984 V C -0.600 175.383 176.094 -0.185 0.000 1.115 984 V CA -1.099 61.138 62.300 -0.106 0.000 0.998 984 V CB 2.380 34.209 31.823 0.010 0.000 1.042 984 V HN 0.245 nan 8.190 nan 0.000 0.433 985 N N 1.785 120.261 118.700 -0.373 0.000 2.399 985 N HA 0.568 5.307 4.740 -0.001 0.000 0.280 985 N C -0.772 174.645 175.510 -0.154 0.000 1.008 985 N CA -0.259 52.453 53.050 -0.564 0.000 0.894 985 N CB 2.294 39.722 38.487 -1.765 0.000 1.273 985 N HN 1.010 nan 8.380 nan 0.000 0.486 986 V N -0.219 119.768 119.914 0.121 0.000 2.398 986 V HA 0.634 4.753 4.120 -0.001 0.000 0.286 986 V C -0.723 175.722 176.094 0.586 0.000 1.026 986 V CA -0.733 61.803 62.300 0.392 0.000 0.868 986 V CB 1.096 33.147 31.823 0.381 0.000 0.982 986 V HN 0.465 nan 8.190 nan 0.000 0.443 987 F N 5.379 125.690 119.950 0.600 0.000 2.403 987 F HA 0.740 5.266 4.527 -0.001 0.000 0.355 987 F C -0.423 175.616 175.800 0.399 0.000 1.119 987 F CA -0.941 57.377 58.000 0.530 0.000 1.007 987 F CB 1.618 40.969 39.000 0.584 0.000 1.194 987 F HN 0.485 nan 8.300 nan 0.000 0.443 988 V N 7.669 127.488 119.914 -0.159 0.000 2.370 988 V HA 0.294 4.413 4.120 -0.001 0.000 0.279 988 V C 0.120 175.977 176.094 -0.394 0.000 1.029 988 V CA -0.509 61.760 62.300 -0.050 0.000 0.870 988 V CB 1.379 33.322 31.823 0.199 0.000 0.984 988 V HN 0.693 nan 8.190 nan 0.000 0.451 989 M N 4.305 123.760 119.600 -0.241 0.000 2.206 989 M HA 0.300 4.779 4.480 -0.001 0.000 0.353 989 M C -0.287 175.977 176.300 -0.059 0.000 1.242 989 M CA -0.243 54.912 55.300 -0.241 0.000 1.179 989 M CB 0.406 32.971 32.600 -0.059 0.000 1.374 989 M HN 0.485 nan 8.290 nan 0.000 0.427 990 D N 2.412 122.767 120.400 -0.075 0.000 2.352 990 D HA 0.079 4.719 4.640 -0.001 0.000 0.245 990 D C 0.928 177.128 176.300 -0.166 0.000 1.224 990 D CA 0.137 54.132 54.000 -0.007 0.000 0.879 990 D CB 1.021 41.946 40.800 0.208 0.000 1.057 990 D HN 0.650 nan 8.370 nan 0.000 0.491 991 T N 0.069 114.570 114.554 -0.089 0.000 3.069 991 T HA 0.087 4.437 4.350 -0.001 0.000 0.252 991 T C 0.515 175.172 174.700 -0.072 0.000 1.053 991 T CA -0.304 61.720 62.100 -0.127 0.000 0.964 991 T CB -0.246 68.600 68.868 -0.036 0.000 1.005 991 T HN 0.564 nan 8.240 nan 0.000 0.532 992 E N -0.464 119.716 120.200 -0.034 0.000 2.586 992 E HA -0.142 4.208 4.350 -0.001 0.000 0.259 992 E C -0.458 176.145 176.600 0.004 0.000 1.107 992 E CA 0.326 56.729 56.400 0.005 0.000 0.754 992 E CB -1.977 27.792 29.700 0.115 0.000 1.335 992 E HN 0.507 nan 8.360 nan 0.000 0.411 993 V N -0.254 119.682 119.914 0.038 0.000 3.216 993 V HA 0.143 4.262 4.120 -0.001 0.000 0.273 993 V C -1.672 174.561 176.094 0.231 0.000 1.664 993 V CA -0.937 61.405 62.300 0.069 0.000 1.021 993 V CB 1.454 33.283 31.823 0.009 0.000 1.250 993 V HN 0.128 nan 8.190 nan 0.000 0.463 994 Y N 3.084 123.392 120.300 0.014 0.000 2.616 994 Y HA 0.320 4.869 4.550 -0.001 0.000 0.350 994 Y C 1.505 177.401 175.900 -0.007 0.000 1.119 994 Y CA 0.223 58.336 58.100 0.021 0.000 1.467 994 Y CB 0.484 38.944 38.460 0.001 0.000 1.287 994 Y HN 0.666 nan 8.280 nan 0.000 0.504 995 S N 2.211 117.993 115.700 0.137 0.000 2.336 995 S HA -0.224 4.245 4.470 -0.001 0.000 0.214 995 S C 2.034 176.660 174.600 0.042 0.000 1.032 995 S CA 1.389 59.633 58.200 0.073 0.000 1.001 995 S CB -0.250 62.992 63.200 0.071 0.000 0.953 995 S HN 0.814 nan 8.310 nan 0.000 0.430 996 N N 1.374 120.085 118.700 0.018 0.000 2.073 996 N HA -0.204 4.535 4.740 -0.001 0.000 0.199 996 N C 1.427 176.916 175.510 -0.036 0.000 1.023 996 N CA 2.692 55.730 53.050 -0.019 0.000 0.880 996 N CB -0.651 37.790 38.487 -0.077 0.000 1.052 996 N HN 0.536 nan 8.380 nan 0.000 0.449 997 T N -4.575 109.953 114.554 -0.043 0.000 3.160 997 T HA 0.347 4.696 4.350 -0.001 0.000 0.257 997 T C 1.204 175.898 174.700 -0.009 0.000 1.147 997 T CA 0.426 62.504 62.100 -0.037 0.000 1.064 997 T CB -0.053 68.790 68.868 -0.042 0.000 0.949 997 T HN 0.481 nan 8.240 nan 0.000 0.526 998 G N 0.156 108.956 108.800 -0.002 0.000 2.155 998 G HA2 0.281 4.240 3.960 -0.001 0.000 0.130 998 G HA3 0.281 4.240 3.960 -0.001 0.000 0.130 998 G C 0.724 175.613 174.900 -0.018 0.000 1.027 998 G CA -0.105 44.983 45.100 -0.019 0.000 0.705 998 G HN 1.510 nan 8.290 nan 0.000 0.496 999 G N -0.866 107.943 108.800 0.014 0.000 2.225 999 G HA2 -0.085 3.874 3.960 -0.001 0.000 0.264 999 G HA3 -0.085 3.874 3.960 -0.001 0.000 0.264 999 G C 0.174 175.056 174.900 -0.029 0.000 1.060 999 G CA 0.929 46.027 45.100 -0.003 0.000 0.833 999 G HN 1.071 nan 8.290 nan 0.000 0.498 1000 Q N 0.172 119.972 119.800 0.000 0.000 2.306 1000 Q HA 0.599 4.938 4.340 -0.001 0.000 0.241 1000 Q C 0.867 176.692 176.000 -0.291 0.000 0.948 1000 Q CA 0.227 55.982 55.803 -0.079 0.000 0.886 1000 Q CB 1.189 29.916 28.738 -0.018 0.000 1.227 1000 Q HN 0.361 nan 8.270 nan 0.000 0.457 1001 S N 0.949 116.503 115.700 -0.244 0.000 2.549 1001 S HA 0.296 4.765 4.470 -0.001 0.000 0.286 1001 S C -0.315 173.967 174.600 -0.530 0.000 1.314 1001 S CA -0.185 57.855 58.200 -0.266 0.000 1.062 1001 S CB 0.024 63.160 63.200 -0.108 0.000 0.865 1001 S HN 0.610 nan 8.310 nan 0.000 0.498 1002 S N 3.869 119.381 115.700 -0.313 0.000 2.677 1002 S HA 0.509 4.978 4.470 -0.001 0.000 0.304 1002 S C 0.391 174.960 174.600 -0.052 0.000 1.108 1002 S CA -0.969 57.143 58.200 -0.147 0.000 0.944 1002 S CB 1.287 64.588 63.200 0.169 0.000 1.127 1002 S HN 0.732 nan 8.310 nan 0.000 0.511 1003 K N 0.232 120.647 120.400 0.024 0.000 2.574 1003 K HA 0.066 4.385 4.320 -0.001 0.000 0.193 1003 K C 1.528 178.102 176.600 -0.044 0.000 1.035 1003 K CA 0.803 57.103 56.287 0.022 0.000 0.982 1003 K CB -0.365 32.180 32.500 0.076 0.000 0.795 1003 K HN 0.695 nan 8.250 nan 0.000 0.491 1004 A N 0.859 123.524 122.820 -0.259 0.000 2.218 1004 A HA 0.031 4.350 4.320 -0.001 0.000 0.209 1004 A C 0.714 178.209 177.584 -0.148 0.000 1.168 1004 A CA 0.215 51.938 52.037 -0.524 0.000 0.804 1004 A CB 0.087 18.413 19.000 -1.123 0.000 0.834 1004 A HN 0.054 nan 8.150 nan 0.000 0.482 1005 T N 3.871 118.386 114.554 -0.065 0.000 2.834 1005 T HA 0.329 4.679 4.350 -0.001 0.000 0.298 1005 T C -2.335 172.415 174.700 0.084 0.000 0.966 1005 T CA -0.671 61.438 62.100 0.015 0.000 1.141 1005 T CB 0.976 69.830 68.868 -0.023 0.000 0.905 1005 T HN 0.288 nan 8.240 nan 0.000 0.535 1006 P HA 0.122 nan 4.420 nan 0.000 0.274 1006 P C -0.197 177.251 177.300 0.246 0.000 1.246 1006 P CA -0.485 62.773 63.100 0.263 0.000 0.795 1006 P CB 0.345 32.340 31.700 0.492 0.000 1.006 1007 T N 1.017 115.713 114.554 0.235 0.000 2.905 1007 T HA 0.245 4.594 4.350 -0.001 0.000 0.299 1007 T C 1.471 176.341 174.700 0.283 0.000 1.024 1007 T CA 1.878 64.100 62.100 0.203 0.000 1.151 1007 T CB -0.780 68.192 68.868 0.174 0.000 0.987 1007 T HN 0.819 nan 8.240 nan 0.000 0.535 1008 G N 2.072 110.997 108.800 0.208 0.000 2.189 1008 G HA2 -0.162 3.797 3.960 -0.001 0.000 0.267 1008 G HA3 -0.162 3.797 3.960 -0.001 0.000 0.267 1008 G C 0.303 175.332 174.900 0.215 0.000 0.975 1008 G CA 0.096 45.338 45.100 0.237 0.000 0.644 1008 G HN 1.211 nan 8.290 nan 0.000 0.537 1009 A N -0.188 122.691 122.820 0.098 0.000 2.388 1009 A HA 0.668 4.988 4.320 -0.001 0.000 0.257 1009 A C 0.482 177.943 177.584 -0.206 0.000 1.095 1009 A CA 0.222 52.048 52.037 -0.352 0.000 0.791 1009 A CB 1.063 19.868 19.000 -0.324 0.000 1.029 1009 A HN 1.096 nan 8.150 nan 0.000 0.489 1010 V N 1.823 121.579 119.914 -0.264 0.000 2.432 1010 V HA 0.642 4.762 4.120 -0.001 0.000 0.275 1010 V C 0.598 176.602 176.094 -0.150 0.000 1.043 1010 V CA 0.683 62.899 62.300 -0.140 0.000 0.925 1010 V CB 0.448 32.213 31.823 -0.097 0.000 0.985 1010 V HN 1.332 nan 8.190 nan 0.000 0.466 1011 A N 5.196 127.948 122.820 -0.113 0.000 2.581 1011 A HA 0.754 5.073 4.320 -0.001 0.000 0.290 1011 A C -1.022 176.488 177.584 -0.125 0.000 1.119 1011 A CA -1.007 50.961 52.037 -0.116 0.000 0.670 1011 A CB 1.281 20.216 19.000 -0.108 0.000 1.280 1011 A HN 0.510 nan 8.150 nan 0.000 0.425 1012 K N 0.322 120.629 120.400 -0.155 0.000 2.451 1012 K HA 0.344 4.663 4.320 -0.001 0.000 0.280 1012 K C -0.588 175.901 176.600 -0.186 0.000 1.020 1012 K CA 0.515 56.626 56.287 -0.293 0.000 1.008 1012 K CB -0.792 31.513 32.500 -0.324 0.000 0.917 1012 K HN 0.875 nan 8.250 nan 0.000 0.478 1013 F N -0.652 119.244 119.950 -0.091 0.000 2.746 1013 F HA -0.308 4.218 4.527 -0.001 0.000 0.315 1013 F C 0.515 176.276 175.800 -0.066 0.000 0.666 1013 F CA 0.813 58.768 58.000 -0.074 0.000 1.381 1013 F CB -1.594 37.350 39.000 -0.093 0.000 1.739 1013 F HN 0.628 nan 8.300 nan 0.000 0.322 1014 A N -0.533 122.296 122.820 0.015 0.000 2.958 1014 A HA 0.769 5.088 4.320 -0.001 0.000 0.214 1014 A C 0.842 178.408 177.584 -0.030 0.000 0.902 1014 A CA 0.286 52.324 52.037 0.002 0.000 1.136 1014 A CB -0.338 18.658 19.000 -0.007 0.000 1.250 1014 A HN 0.714 nan 8.150 nan 0.000 0.497 1015 A N -0.500 122.295 122.820 -0.043 0.000 2.239 1015 A HA 0.426 4.745 4.320 -0.001 0.000 0.209 1015 A C 1.538 179.132 177.584 0.017 0.000 1.171 1015 A CA 1.456 53.474 52.037 -0.032 0.000 0.768 1015 A CB -0.161 18.806 19.000 -0.054 0.000 0.790 1015 A HN 1.503 nan 8.150 nan 0.000 0.478 1016 A N -1.141 121.671 122.820 -0.014 0.000 2.538 1016 A HA 0.533 4.853 4.320 -0.001 0.000 0.269 1016 A C 0.948 178.523 177.584 -0.015 0.000 1.231 1016 A CA 0.528 52.531 52.037 -0.057 0.000 0.948 1016 A CB -0.563 18.325 19.000 -0.186 0.000 1.110 1016 A HN 1.927 nan 8.150 nan 0.000 0.529 1017 G N 0.268 109.075 108.800 0.011 0.000 3.338 1017 G HA2 -0.097 3.862 3.960 -0.001 0.000 0.686 1017 G HA3 -0.097 3.862 3.960 -0.001 0.000 0.686 1017 G C -0.409 174.506 174.900 0.024 0.000 1.053 1017 G CA -0.249 44.869 45.100 0.030 0.000 0.852 1017 G HN 0.629 nan 8.290 nan 0.000 0.545 1018 K N 1.364 121.781 120.400 0.027 0.000 2.484 1018 K HA 0.168 4.487 4.320 -0.001 0.000 0.280 1018 K C 1.049 177.678 176.600 0.048 0.000 1.013 1018 K CA -0.109 56.197 56.287 0.032 0.000 1.029 1018 K CB 0.258 32.778 32.500 0.033 0.000 0.902 1018 K HN 0.375 nan 8.250 nan 0.000 0.481 1019 R N 2.168 122.689 120.500 0.035 0.000 2.388 1019 R HA 0.066 4.405 4.340 -0.001 0.000 0.247 1019 R C -0.186 176.137 176.300 0.039 0.000 0.931 1019 R CA 0.130 56.251 56.100 0.036 0.000 1.082 1019 R CB -0.105 30.207 30.300 0.020 0.000 1.135 1019 R HN 0.758 nan 8.270 nan 0.000 0.525 1020 T N -3.426 111.154 114.554 0.043 0.000 2.900 1020 T HA 0.662 5.012 4.350 -0.001 0.000 0.295 1020 T C 0.516 175.249 174.700 0.055 0.000 1.044 1020 T CA -0.789 61.336 62.100 0.041 0.000 0.995 1020 T CB 2.708 71.594 68.868 0.029 0.000 1.072 1020 T HN 0.079 nan 8.240 nan 0.000 0.473 1021 G N 0.804 109.636 108.800 0.053 0.000 2.667 1021 G HA2 0.361 4.320 3.960 -0.001 0.000 0.250 1021 G HA3 0.361 4.320 3.960 -0.001 0.000 0.250 1021 G C -0.252 174.683 174.900 0.057 0.000 1.212 1021 G CA -0.814 44.324 45.100 0.062 0.000 0.874 1021 G HN 0.987 nan 8.290 nan 0.000 0.561 1022 K N 0.274 120.714 120.400 0.067 0.000 2.412 1022 K HA 0.071 4.390 4.320 -0.001 0.000 0.281 1022 K C 0.655 177.295 176.600 0.067 0.000 1.027 1022 K CA -0.305 56.022 56.287 0.067 0.000 0.989 1022 K CB 0.379 32.924 32.500 0.075 0.000 0.935 1022 K HN 0.476 nan 8.250 nan 0.000 0.475 1023 K N 3.626 124.087 120.400 0.101 0.000 2.451 1023 K HA -0.088 4.231 4.320 -0.001 0.000 0.280 1023 K C -0.430 176.238 176.600 0.112 0.000 1.020 1023 K CA 0.004 56.349 56.287 0.097 0.000 1.008 1023 K CB 0.531 33.116 32.500 0.142 0.000 0.917 1023 K HN 0.489 nan 8.250 nan 0.000 0.478 1024 D N 5.541 125.933 120.400 -0.012 0.000 2.631 1024 D HA 0.009 4.649 4.640 -0.001 0.000 0.227 1024 D C 0.972 177.189 176.300 -0.138 0.000 1.146 1024 D CA -0.221 53.746 54.000 -0.054 0.000 1.009 1024 D CB 0.166 40.915 40.800 -0.084 0.000 1.057 1024 D HN 0.589 nan 8.370 nan 0.000 0.509 1025 L N 2.874 123.956 121.223 -0.236 0.000 2.043 1025 L HA -0.171 4.168 4.340 -0.001 0.000 0.212 1025 L C 2.054 178.803 176.870 -0.203 0.000 1.075 1025 L CA 2.283 56.887 54.840 -0.394 0.000 0.752 1025 L CB -0.570 40.980 42.059 -0.849 0.000 0.891 1025 L HN 0.276 nan 8.230 nan 0.000 0.432 1026 A N -0.381 122.367 122.820 -0.120 0.000 1.865 1026 A HA -0.234 4.086 4.320 -0.001 0.000 0.217 1026 A C 2.398 179.922 177.584 -0.099 0.000 1.191 1026 A CA 1.953 53.974 52.037 -0.027 0.000 0.623 1026 A CB -0.606 18.486 19.000 0.153 0.000 0.826 1026 A HN 0.519 nan 8.150 nan 0.000 0.444 1027 R N -1.194 119.218 120.500 -0.146 0.000 2.148 1027 R HA -0.014 4.325 4.340 -0.001 0.000 0.227 1027 R C 2.169 178.334 176.300 -0.226 0.000 1.103 1027 R CA 1.366 57.328 56.100 -0.231 0.000 0.983 1027 R CB -0.393 29.766 30.300 -0.235 0.000 0.874 1027 R HN 0.591 nan 8.270 nan 0.000 0.451 1028 M N 0.112 119.605 119.600 -0.179 0.000 2.099 1028 M HA -0.120 4.359 4.480 -0.001 0.000 0.262 1028 M C 2.410 178.603 176.300 -0.178 0.000 1.067 1028 M CA 1.438 56.638 55.300 -0.167 0.000 1.124 1028 M CB -0.227 32.309 32.600 -0.108 0.000 1.353 1028 M HN 0.078 nan 8.290 nan 0.000 0.410 1029 V N -1.012 118.838 119.914 -0.106 0.000 3.041 1029 V HA -0.100 4.020 4.120 -0.001 0.000 0.260 1029 V C 1.793 177.808 176.094 -0.131 0.000 1.105 1029 V CA 1.223 63.517 62.300 -0.010 0.000 1.125 1029 V CB -0.479 31.381 31.823 0.061 0.000 0.730 1029 V HN 0.466 nan 8.190 nan 0.000 0.479 1030 M N 1.511 120.934 119.600 -0.296 0.000 2.460 1030 M HA -0.078 4.401 4.480 -0.001 0.000 0.263 1030 M C 2.090 178.074 176.300 -0.527 0.000 1.071 1030 M CA 1.842 56.799 55.300 -0.571 0.000 1.096 1030 M CB -0.352 31.836 32.600 -0.686 0.000 1.408 1030 M HN 0.751 nan 8.290 nan 0.000 0.463 1031 T N -2.755 111.559 114.554 -0.400 0.000 3.051 1031 T HA -0.131 4.218 4.350 -0.001 0.000 0.269 1031 T C 1.290 175.779 174.700 -0.352 0.000 1.127 1031 T CA 0.811 62.692 62.100 -0.365 0.000 1.107 1031 T CB -0.491 68.148 68.868 -0.381 0.000 0.898 1031 T HN 0.313 nan 8.240 nan 0.000 0.517 1032 Y N 2.046 122.159 120.300 -0.312 0.000 2.314 1032 Y HA 0.251 4.800 4.550 -0.001 0.000 0.293 1032 Y C 2.544 178.262 175.900 -0.303 0.000 1.129 1032 Y CA 0.514 58.369 58.100 -0.408 0.000 1.201 1032 Y CB -0.731 37.293 38.460 -0.726 0.000 0.999 1032 Y HN 0.438 nan 8.280 nan 0.000 0.541 1033 G N -0.653 108.111 108.800 -0.060 0.000 2.347 1033 G HA2 -0.405 3.554 3.960 -0.001 0.000 0.247 1033 G HA3 -0.405 3.554 3.960 -0.001 0.000 0.247 1033 G C 0.768 175.839 174.900 0.285 0.000 1.037 1033 G CA 0.723 45.931 45.100 0.180 0.000 0.622 1033 G HN 0.581 nan 8.290 nan 0.000 0.521 1034 Y N -0.139 120.315 120.300 0.257 0.000 2.584 1034 Y HA 0.758 5.307 4.550 -0.002 0.000 0.254 1034 Y C 0.266 176.301 175.900 0.225 0.000 1.177 1034 Y CA -0.809 57.432 58.100 0.235 0.000 1.216 1034 Y CB -0.005 38.724 38.460 0.448 0.000 1.172 1034 Y HN 0.224 nan 8.280 nan 0.000 0.529 1035 V N 1.808 121.743 119.914 0.035 0.000 2.417 1035 V HA 0.164 4.284 4.120 -0.001 0.000 0.291 1035 V C -0.835 175.236 176.094 -0.039 0.000 1.024 1035 V CA -1.229 61.110 62.300 0.065 0.000 0.861 1035 V CB 1.126 32.908 31.823 -0.068 0.000 0.985 1035 V HN 0.322 nan 8.190 nan 0.000 0.436 1036 Y N 5.201 125.295 120.300 -0.344 0.000 2.496 1036 Y HA 0.454 5.004 4.550 -0.001 0.000 0.334 1036 Y C -0.227 175.625 175.900 -0.080 0.000 1.080 1036 Y CA 0.228 58.075 58.100 -0.421 0.000 1.355 1036 Y CB 0.813 38.841 38.460 -0.720 0.000 1.193 1036 Y HN 0.420 nan 8.280 nan 0.000 0.523 1037 V N 6.106 125.846 119.914 -0.290 0.000 2.540 1037 V HA 0.887 5.006 4.120 -0.001 0.000 0.302 1037 V C -0.516 175.512 176.094 -0.109 0.000 1.035 1037 V CA -0.429 61.834 62.300 -0.062 0.000 0.873 1037 V CB 1.224 33.052 31.823 0.007 0.000 0.992 1037 V HN 0.925 nan 8.190 nan 0.000 0.428 1038 A N 2.949 125.806 122.820 0.062 0.000 2.594 1038 A HA 0.939 5.258 4.320 -0.001 0.000 0.295 1038 A C -0.417 177.135 177.584 -0.054 0.000 1.071 1038 A CA -0.384 51.664 52.037 0.018 0.000 0.685 1038 A CB 2.232 21.348 19.000 0.192 0.000 1.285 1038 A HN 0.941 nan 8.150 nan 0.000 0.405 1039 T N -1.048 113.307 114.554 -0.332 0.000 2.863 1039 T HA 0.799 5.148 4.350 -0.001 0.000 0.285 1039 T C -0.125 174.593 174.700 0.029 0.000 1.009 1039 T CA -0.109 61.836 62.100 -0.258 0.000 0.989 1039 T CB 0.923 69.307 68.868 -0.807 0.000 1.004 1039 T HN 2.058 nan 8.240 nan 0.000 0.455 1040 V N -1.334 118.765 119.914 0.308 0.000 3.141 1040 V HA 0.994 5.113 4.120 -0.001 0.000 0.312 1040 V C -0.455 175.915 176.094 0.459 0.000 1.157 1040 V CA -0.918 61.617 62.300 0.392 0.000 1.041 1040 V CB 1.758 33.877 31.823 0.493 0.000 1.071 1040 V HN 1.172 nan 8.190 nan 0.000 0.441 1041 S N 1.428 117.372 115.700 0.408 0.000 2.382 1041 S HA 0.286 4.755 4.470 -0.001 0.000 0.228 1041 S C 0.286 175.080 174.600 0.322 0.000 0.996 1041 S CA 0.030 58.445 58.200 0.359 0.000 1.094 1041 S CB 0.932 64.293 63.200 0.269 0.000 1.209 1041 S HN 1.038 nan 8.310 nan 0.000 0.420 1042 M N 3.832 123.566 119.600 0.223 0.000 2.110 1042 M HA -0.093 4.386 4.480 -0.001 0.000 0.257 1042 M C 2.032 178.398 176.300 0.109 0.000 1.071 1042 M CA 2.765 58.095 55.300 0.051 0.000 1.096 1042 M CB -0.834 31.562 32.600 -0.339 0.000 1.300 1042 M HN 0.815 nan 8.290 nan 0.000 0.411 1043 G N -1.486 107.373 108.800 0.098 0.000 2.485 1043 G HA2 -0.317 3.642 3.960 -0.001 0.000 0.221 1043 G HA3 -0.317 3.642 3.960 -0.001 0.000 0.221 1043 G C 1.191 176.167 174.900 0.125 0.000 1.115 1043 G CA 1.269 46.428 45.100 0.099 0.000 0.751 1043 G HN 0.648 nan 8.290 nan 0.000 0.567 1044 Y N 0.559 120.902 120.300 0.071 0.000 2.231 1044 Y HA 0.334 4.884 4.550 -0.001 0.000 0.294 1044 Y C 1.040 176.982 175.900 0.069 0.000 1.120 1044 Y CA 1.133 59.273 58.100 0.067 0.000 1.141 1044 Y CB 0.397 38.910 38.460 0.088 0.000 1.022 1044 Y HN 0.151 nan 8.280 nan 0.000 0.523 1045 S N -0.272 115.519 115.700 0.152 0.000 2.653 1045 S HA 0.281 4.750 4.470 -0.001 0.000 0.268 1045 S C -0.186 174.515 174.600 0.169 0.000 1.153 1045 S CA -0.800 57.438 58.200 0.063 0.000 1.036 1045 S CB 0.923 64.198 63.200 0.125 0.000 1.103 1045 S HN 0.342 nan 8.310 nan 0.000 0.466 1046 K N 2.528 122.956 120.400 0.046 0.000 2.167 1046 K HA -0.059 4.260 4.320 -0.001 0.000 0.203 1046 K C 1.502 178.162 176.600 0.099 0.000 1.052 1046 K CA 1.127 57.444 56.287 0.049 0.000 0.956 1046 K CB -0.007 32.199 32.500 -0.491 0.000 0.735 1046 K HN 0.496 nan 8.250 nan 0.000 0.451 1047 Q N 0.859 120.671 119.800 0.019 0.000 2.123 1047 Q HA -0.126 4.214 4.340 -0.001 0.000 0.199 1047 Q C 2.072 178.148 176.000 0.127 0.000 0.966 1047 Q CA 1.139 56.963 55.803 0.035 0.000 0.845 1047 Q CB -0.130 28.605 28.738 -0.006 0.000 0.907 1047 Q HN 0.219 nan 8.270 nan 0.000 0.439 1048 Q N -0.334 119.579 119.800 0.188 0.000 2.119 1048 Q HA -0.146 4.194 4.340 -0.001 0.000 0.201 1048 Q C 1.840 178.038 176.000 0.330 0.000 0.972 1048 Q CA 1.023 56.967 55.803 0.234 0.000 0.847 1048 Q CB -0.159 28.738 28.738 0.264 0.000 0.903 1048 Q HN 0.425 nan 8.270 nan 0.000 0.433 1049 F N 1.395 121.489 119.950 0.240 0.000 2.069 1049 F HA -0.212 4.314 4.527 -0.001 0.000 0.298 1049 F C 1.954 177.919 175.800 0.276 0.000 1.113 1049 F CA 1.401 59.587 58.000 0.309 0.000 1.214 1049 F CB -0.743 38.489 39.000 0.386 0.000 0.978 1049 F HN 0.049 nan 8.300 nan 0.000 0.474 1050 L N 0.327 121.553 121.223 0.005 0.000 2.042 1050 L HA -0.250 4.090 4.340 -0.001 0.000 0.210 1050 L C 2.669 179.534 176.870 -0.008 0.000 1.076 1050 L CA 1.969 56.729 54.840 -0.133 0.000 0.749 1050 L CB -0.865 41.188 42.059 -0.011 0.000 0.893 1050 L HN 0.147 nan 8.230 nan 0.000 0.432 1051 K N 0.140 120.588 120.400 0.080 0.000 2.063 1051 K HA -0.174 4.146 4.320 -0.001 0.000 0.208 1051 K C 2.036 178.724 176.600 0.148 0.000 1.048 1051 K CA 1.556 57.908 56.287 0.108 0.000 0.928 1051 K CB -0.036 32.535 32.500 0.119 0.000 0.713 1051 K HN 0.077 nan 8.250 nan 0.000 0.442 1052 V N 1.822 121.860 119.914 0.207 0.000 2.343 1052 V HA -0.251 3.868 4.120 -0.001 0.000 0.247 1052 V C 2.361 178.595 176.094 0.233 0.000 1.051 1052 V CA 1.534 64.006 62.300 0.287 0.000 1.036 1052 V CB -0.322 31.737 31.823 0.394 0.000 0.654 1052 V HN 0.344 nan 8.190 nan 0.000 0.451 1053 L N -0.161 121.173 121.223 0.185 0.000 2.012 1053 L HA -0.253 4.086 4.340 -0.001 0.000 0.210 1053 L C 2.629 179.713 176.870 0.358 0.000 1.073 1053 L CA 2.211 57.212 54.840 0.269 0.000 0.748 1053 L CB -0.659 41.418 42.059 0.029 0.000 0.891 1053 L HN 0.336 nan 8.230 nan 0.000 0.431 1054 K N 0.307 120.854 120.400 0.245 0.000 2.057 1054 K HA -0.200 4.119 4.320 -0.001 0.000 0.207 1054 K C 1.906 178.579 176.600 0.122 0.000 1.049 1054 K CA 1.546 57.983 56.287 0.249 0.000 0.931 1054 K CB 0.043 32.634 32.500 0.151 0.000 0.714 1054 K HN 0.361 nan 8.250 nan 0.000 0.440 1055 E N -0.004 120.219 120.200 0.038 0.000 2.047 1055 E HA -0.159 4.190 4.350 -0.001 0.000 0.191 1055 E C 2.032 178.350 176.600 -0.470 0.000 0.987 1055 E CA 0.955 57.284 56.400 -0.119 0.000 0.799 1055 E CB -0.106 29.581 29.700 -0.021 0.000 0.752 1055 E HN 0.412 nan 8.360 nan 0.000 0.449 1056 A N 1.765 124.235 122.820 -0.583 0.000 1.858 1056 A HA -0.234 4.085 4.320 -0.001 0.000 0.216 1056 A C 2.167 179.584 177.584 -0.279 0.000 1.190 1056 A CA 1.410 53.045 52.037 -0.670 0.000 0.617 1056 A CB -0.416 18.471 19.000 -0.188 0.000 0.827 1056 A HN 0.113 nan 8.150 nan 0.000 0.443 1057 E N 0.604 120.713 120.200 -0.152 0.000 2.077 1057 E HA -0.160 4.190 4.350 -0.001 0.000 0.193 1057 E C 2.354 178.865 176.600 -0.148 0.000 0.989 1057 E CA 1.699 57.954 56.400 -0.241 0.000 0.800 1057 E CB -0.267 29.171 29.700 -0.436 0.000 0.746 1057 E HN 0.679 nan 8.360 nan 0.000 0.452 1058 S N -0.158 115.512 115.700 -0.051 0.000 2.481 1058 S HA -0.098 4.371 4.470 -0.001 0.000 0.231 1058 S C 0.910 175.532 174.600 0.038 0.000 0.996 1058 S CA -0.279 57.924 58.200 0.006 0.000 0.942 1058 S CB -0.542 62.689 63.200 0.052 0.000 0.768 1058 S HN 0.190 nan 8.310 nan 0.000 0.520 1059 F N 5.742 125.606 119.950 -0.144 0.000 2.571 1059 F HA 0.310 4.836 4.527 -0.002 0.000 0.384 1059 F C -2.183 173.599 175.800 -0.030 0.000 1.058 1059 F CA -2.861 55.090 58.000 -0.081 0.000 1.200 1059 F CB 0.625 39.546 39.000 -0.131 0.000 1.077 1059 F HN 0.059 nan 8.300 nan 0.000 0.558 1060 P HA 0.259 nan 4.420 nan 0.000 0.225 1060 P C -0.105 176.855 177.300 -0.566 0.000 1.768 1060 P CA 0.359 63.218 63.100 -0.401 0.000 0.943 1060 P CB -0.069 31.492 31.700 -0.230 0.000 1.936 1061 G N 1.103 109.535 108.800 -0.614 0.000 2.494 1061 G HA2 0.401 4.360 3.960 -0.001 0.000 0.308 1061 G HA3 0.401 4.360 3.960 -0.001 0.000 0.308 1061 G C -3.565 171.395 174.900 0.099 0.000 1.263 1061 G CA -0.930 43.989 45.100 -0.302 0.000 0.840 1061 G HN -0.156 nan 8.290 nan 0.000 0.479 1062 P HA 0.482 nan 4.420 nan 0.000 0.280 1062 P C -0.761 176.755 177.300 0.359 0.000 1.244 1062 P CA -0.015 63.246 63.100 0.268 0.000 0.784 1062 P CB 1.569 33.378 31.700 0.182 0.000 0.913 1063 S N 2.578 118.403 115.700 0.209 0.000 2.521 1063 S HA 0.575 5.044 4.470 -0.001 0.000 0.295 1063 S C -0.954 173.758 174.600 0.185 0.000 1.098 1063 S CA -0.668 57.657 58.200 0.208 0.000 0.999 1063 S CB 0.706 63.949 63.200 0.070 0.000 1.034 1063 S HN 0.365 nan 8.310 nan 0.000 0.483 1064 L N 4.077 125.449 121.223 0.247 0.000 2.376 1064 L HA 0.694 5.033 4.340 -0.001 0.000 0.275 1064 L C -1.671 175.374 176.870 0.292 0.000 0.987 1064 L CA -0.589 54.390 54.840 0.231 0.000 0.828 1064 L CB 1.337 43.484 42.059 0.147 0.000 1.249 1064 L HN 0.441 nan 8.230 nan 0.000 0.409 1065 V N 6.279 126.406 119.914 0.355 0.000 2.444 1065 V HA 0.468 4.588 4.120 -0.001 0.000 0.294 1065 V C -0.049 176.189 176.094 0.241 0.000 1.022 1065 V CA -0.392 62.150 62.300 0.402 0.000 0.850 1065 V CB 2.024 34.257 31.823 0.683 0.000 0.992 1065 V HN 0.552 nan 8.190 nan 0.000 0.426 1066 I N 4.397 125.070 120.570 0.171 0.000 2.355 1066 I HA 0.718 4.887 4.170 -0.001 0.000 0.288 1066 I C 0.366 176.619 176.117 0.226 0.000 0.999 1066 I CA -0.433 60.948 61.300 0.136 0.000 1.163 1066 I CB 1.665 39.777 38.000 0.186 0.000 1.316 1066 I HN 0.655 nan 8.210 nan 0.000 0.454 1067 A N 5.795 128.579 122.820 -0.061 0.000 2.312 1067 A HA 0.488 4.807 4.320 -0.001 0.000 0.326 1067 A C -1.171 176.284 177.584 -0.214 0.000 1.172 1067 A CA -0.409 51.513 52.037 -0.192 0.000 0.821 1067 A CB 0.676 19.105 19.000 -0.951 0.000 1.166 1067 A HN 0.631 nan 8.150 nan 0.000 0.493 1068 Y N 2.178 122.198 120.300 -0.468 0.000 2.436 1068 Y HA 0.443 4.992 4.550 -0.001 0.000 0.343 1068 Y C 0.298 176.028 175.900 -0.283 0.000 1.008 1068 Y CA -0.103 57.465 58.100 -0.886 0.000 1.241 1068 Y CB 0.476 38.115 38.460 -1.370 0.000 1.153 1068 Y HN 0.783 nan 8.280 nan 0.000 0.521 1069 A N 5.225 127.656 122.820 -0.647 0.000 2.291 1069 A HA 0.507 4.826 4.320 -0.001 0.000 0.311 1069 A C -0.111 177.221 177.584 -0.420 0.000 1.224 1069 A CA -0.475 51.392 52.037 -0.283 0.000 0.821 1069 A CB 0.074 19.002 19.000 -0.121 0.000 1.172 1069 A HN 0.789 nan 8.150 nan 0.000 0.494 1070 T N -0.811 113.614 114.554 -0.216 0.000 2.898 1070 T HA 0.465 4.814 4.350 -0.001 0.000 0.301 1070 T C 0.093 174.748 174.700 -0.075 0.000 1.049 1070 T CA -0.445 61.577 62.100 -0.131 0.000 1.095 1070 T CB 0.950 69.827 68.868 0.014 0.000 0.976 1070 T HN 1.205 nan 8.240 nan 0.000 0.539 1071 C N 3.185 122.453 119.300 -0.053 0.000 2.994 1071 C HA 0.559 5.018 4.460 -0.001 0.000 0.305 1071 C C 1.779 176.764 174.990 -0.008 0.000 1.251 1071 C CA -0.984 58.022 59.018 -0.019 0.000 1.478 1071 C CB 0.164 27.891 27.740 -0.021 0.000 1.922 1071 C HN 1.076 nan 8.230 nan 0.000 0.472 1072 I N 1.150 121.724 120.570 0.006 0.000 2.361 1072 I HA -0.101 4.068 4.170 -0.001 0.000 0.251 1072 I C 1.705 177.815 176.117 -0.012 0.000 1.133 1072 I CA 1.925 63.227 61.300 0.003 0.000 1.413 1072 I CB -0.657 37.352 38.000 0.015 0.000 1.073 1072 I HN 0.758 nan 8.210 nan 0.000 0.424 1073 N N 1.011 119.702 118.700 -0.014 0.000 2.289 1073 N HA -0.185 4.555 4.740 -0.001 0.000 0.184 1073 N C 1.732 177.211 175.510 -0.053 0.000 1.016 1073 N CA 1.107 54.138 53.050 -0.031 0.000 0.872 1073 N CB -0.125 38.347 38.487 -0.025 0.000 0.973 1073 N HN 0.614 nan 8.380 nan 0.000 0.433 1074 Q N -0.086 119.686 119.800 -0.047 0.000 2.378 1074 Q HA 0.064 4.403 4.340 -0.001 0.000 0.205 1074 Q C 0.728 176.693 176.000 -0.058 0.000 0.954 1074 Q CA 0.347 56.113 55.803 -0.062 0.000 0.901 1074 Q CB 0.399 29.120 28.738 -0.030 0.000 0.981 1074 Q HN 0.347 nan 8.270 nan 0.000 0.483 1075 G N 1.993 110.769 108.800 -0.040 0.000 2.351 1075 G HA2 -0.258 3.701 3.960 -0.001 0.000 0.297 1075 G HA3 -0.258 3.701 3.960 -0.001 0.000 0.297 1075 G C -0.210 174.675 174.900 -0.025 0.000 1.054 1075 G CA -0.247 44.834 45.100 -0.033 0.000 1.123 1075 G HN 0.252 nan 8.290 nan 0.000 0.512 1076 L N 0.237 121.451 121.223 -0.016 0.000 2.562 1076 L HA 0.099 4.439 4.340 -0.001 0.000 0.271 1076 L C 2.136 179.000 176.870 -0.010 0.000 1.167 1076 L CA 0.145 54.977 54.840 -0.013 0.000 0.917 1076 L CB 0.345 42.407 42.059 0.005 0.000 1.187 1076 L HN 0.560 nan 8.230 nan 0.000 0.482 1077 R N 3.400 123.891 120.500 -0.015 0.000 2.139 1077 R HA -0.166 4.174 4.340 -0.001 0.000 0.243 1077 R C 1.068 177.367 176.300 -0.003 0.000 1.145 1077 R CA 1.684 57.778 56.100 -0.010 0.000 0.976 1077 R CB 0.160 30.452 30.300 -0.013 0.000 0.866 1077 R HN 0.570 nan 8.270 nan 0.000 0.449 1078 K N -0.473 119.928 120.400 0.002 0.000 2.399 1078 K HA 0.229 4.548 4.320 -0.001 0.000 0.204 1078 K C -0.338 176.268 176.600 0.010 0.000 1.023 1078 K CA 0.295 56.587 56.287 0.007 0.000 1.127 1078 K CB 1.530 34.037 32.500 0.011 0.000 0.856 1078 K HN 0.419 nan 8.250 nan 0.000 0.514 1079 G N 0.822 109.628 108.800 0.009 0.000 2.629 1079 G HA2 -0.191 3.768 3.960 -0.001 0.000 0.686 1079 G HA3 -0.191 3.768 3.960 -0.001 0.000 0.686 1079 G C 0.165 175.075 174.900 0.017 0.000 1.232 1079 G CA -0.894 44.213 45.100 0.012 0.000 0.803 1079 G HN -0.066 nan 8.290 nan 0.000 0.638 1080 M N 1.191 120.801 119.600 0.017 0.000 2.630 1080 M HA 0.041 4.520 4.480 -0.001 0.000 0.254 1080 M C 2.448 178.762 176.300 0.023 0.000 1.092 1080 M CA 1.678 56.991 55.300 0.021 0.000 1.087 1080 M CB -0.892 31.720 32.600 0.021 0.000 1.453 1080 M HN 0.977 nan 8.290 nan 0.000 0.509 1081 G N 0.201 109.013 108.800 0.021 0.000 2.679 1081 G HA2 -0.131 3.829 3.960 -0.001 0.000 0.212 1081 G HA3 -0.131 3.829 3.960 -0.001 0.000 0.212 1081 G C 1.476 176.393 174.900 0.027 0.000 1.137 1081 G CA 0.280 45.394 45.100 0.022 0.000 0.787 1081 G HN 0.349 nan 8.290 nan 0.000 0.534 1082 K N 0.827 121.247 120.400 0.032 0.000 2.410 1082 K HA 0.215 4.534 4.320 -0.001 0.000 0.200 1082 K C 1.904 178.540 176.600 0.059 0.000 1.023 1082 K CA -0.063 56.249 56.287 0.042 0.000 1.149 1082 K CB 0.562 33.087 32.500 0.041 0.000 0.859 1082 K HN 0.129 nan 8.250 nan 0.000 0.514 1083 S N 1.815 117.547 115.700 0.053 0.000 2.359 1083 S HA -0.171 4.298 4.470 -0.001 0.000 0.223 1083 S C 1.816 176.468 174.600 0.087 0.000 1.039 1083 S CA 1.313 59.556 58.200 0.070 0.000 1.042 1083 S CB 0.004 63.228 63.200 0.040 0.000 0.915 1083 S HN 0.346 nan 8.310 nan 0.000 0.439 1084 Q N 0.755 120.589 119.800 0.057 0.000 2.124 1084 Q HA -0.153 4.186 4.340 -0.001 0.000 0.202 1084 Q C 1.903 177.953 176.000 0.082 0.000 0.977 1084 Q CA 1.458 57.295 55.803 0.058 0.000 0.850 1084 Q CB -0.706 28.052 28.738 0.034 0.000 0.901 1084 Q HN 0.574 nan 8.270 nan 0.000 0.429 1085 D N 0.016 120.462 120.400 0.077 0.000 2.117 1085 D HA -0.113 4.526 4.640 -0.001 0.000 0.197 1085 D C 1.903 178.277 176.300 0.125 0.000 0.987 1085 D CA 0.830 54.881 54.000 0.084 0.000 0.829 1085 D CB 0.176 41.016 40.800 0.068 0.000 0.961 1085 D HN 0.001 nan 8.370 nan 0.000 0.460 1086 V N 0.316 120.322 119.914 0.153 0.000 2.343 1086 V HA -0.246 3.873 4.120 -0.001 0.000 0.247 1086 V C 2.513 178.764 176.094 0.261 0.000 1.051 1086 V CA 1.688 64.133 62.300 0.243 0.000 1.036 1086 V CB -0.457 31.508 31.823 0.236 0.000 0.654 1086 V HN 0.320 nan 8.190 nan 0.000 0.451 1087 M N -0.170 119.563 119.600 0.222 0.000 2.117 1087 M HA -0.199 4.280 4.480 -0.001 0.000 0.262 1087 M C 2.161 178.525 176.300 0.106 0.000 1.065 1087 M CA 2.094 57.501 55.300 0.178 0.000 1.114 1087 M CB -0.765 31.966 32.600 0.218 0.000 1.361 1087 M HN 0.457 nan 8.290 nan 0.000 0.408 1088 N N -0.434 118.356 118.700 0.150 0.000 2.043 1088 N HA -0.164 4.576 4.740 -0.001 0.000 0.193 1088 N C 1.355 176.950 175.510 0.142 0.000 1.037 1088 N CA 1.807 54.976 53.050 0.198 0.000 0.851 1088 N CB 0.122 38.688 38.487 0.132 0.000 1.027 1088 N HN 0.255 nan 8.380 nan 0.000 0.422 1089 T N 0.293 114.889 114.554 0.070 0.000 2.867 1089 T HA -0.022 4.327 4.350 -0.001 0.000 0.268 1089 T C 1.844 176.339 174.700 -0.341 0.000 1.057 1089 T CA 0.963 63.049 62.100 -0.023 0.000 1.136 1089 T CB -0.283 68.658 68.868 0.123 0.000 0.874 1089 T HN 0.410 nan 8.240 nan 0.000 0.466 1090 A N 0.762 123.305 122.820 -0.462 0.000 1.972 1090 A HA -0.036 4.283 4.320 -0.001 0.000 0.219 1090 A C 2.472 179.818 177.584 -0.396 0.000 1.169 1090 A CA 1.279 52.799 52.037 -0.862 0.000 0.635 1090 A CB -0.678 17.833 19.000 -0.815 0.000 0.810 1090 A HN 0.395 nan 8.150 nan 0.000 0.446 1091 V N -0.364 119.412 119.914 -0.230 0.000 2.374 1091 V HA -0.144 3.975 4.120 -0.001 0.000 0.241 1091 V C 2.282 178.237 176.094 -0.232 0.000 1.034 1091 V CA 1.844 63.999 62.300 -0.242 0.000 1.037 1091 V CB -0.603 30.889 31.823 -0.553 0.000 0.682 1091 V HN 0.484 nan 8.190 nan 0.000 0.463 1092 K N 1.364 121.701 120.400 -0.106 0.000 2.103 1092 K HA -0.174 4.145 4.320 -0.001 0.000 0.207 1092 K C 2.226 178.762 176.600 -0.107 0.000 1.048 1092 K CA 1.849 58.118 56.287 -0.029 0.000 0.930 1092 K CB -0.383 32.162 32.500 0.074 0.000 0.716 1092 K HN 0.617 nan 8.250 nan 0.000 0.444 1093 S N -0.647 114.954 115.700 -0.165 0.000 2.515 1093 S HA 0.029 4.498 4.470 -0.001 0.000 0.231 1093 S C 1.529 176.046 174.600 -0.139 0.000 0.987 1093 S CA 0.725 58.827 58.200 -0.164 0.000 0.936 1093 S CB 0.075 63.120 63.200 -0.259 0.000 0.766 1093 S HN 0.492 nan 8.310 nan 0.000 0.528 1094 G N 0.223 108.940 108.800 -0.139 0.000 2.195 1094 G HA2 -0.392 3.567 3.960 -0.001 0.000 0.246 1094 G HA3 -0.392 3.567 3.960 -0.001 0.000 0.246 1094 G C 0.408 175.320 174.900 0.020 0.000 0.984 1094 G CA 0.390 45.438 45.100 -0.086 0.000 0.633 1094 G HN 0.576 nan 8.290 nan 0.000 0.525 1095 Y N -0.265 119.937 120.300 -0.164 0.000 2.181 1095 Y HA 0.145 4.694 4.550 -0.001 0.000 0.288 1095 Y C 1.348 177.278 175.900 0.050 0.000 1.146 1095 Y CA 2.090 60.131 58.100 -0.097 0.000 1.164 1095 Y CB 0.168 38.444 38.460 -0.308 0.000 0.982 1095 Y HN 0.362 nan 8.280 nan 0.000 0.515 1096 W N 4.624 125.823 121.300 -0.169 0.000 2.319 1096 W HA 0.309 4.969 4.660 -0.001 0.000 0.288 1096 W C -2.941 173.497 176.519 -0.135 0.000 0.959 1096 W CA -2.203 55.028 57.345 -0.189 0.000 1.784 1096 W CB 0.731 30.047 29.460 -0.241 0.000 1.848 1096 W HN -0.022 nan 8.180 nan 0.000 0.408 1097 P HA 0.098 nan 4.420 nan 0.000 0.271 1097 P C -0.427 176.785 177.300 -0.147 0.000 1.216 1097 P CA 0.374 63.487 63.100 0.021 0.000 0.776 1097 P CB 1.780 33.622 31.700 0.238 0.000 0.881 1098 L N 4.287 125.451 121.223 -0.098 0.000 2.309 1098 L HA 0.602 4.942 4.340 -0.001 0.000 0.282 1098 L C 0.305 177.110 176.870 -0.109 0.000 1.036 1098 L CA -0.683 54.032 54.840 -0.207 0.000 0.806 1098 L CB 0.509 42.537 42.059 -0.052 0.000 1.220 1098 L HN 0.451 nan 8.230 nan 0.000 0.429 1099 F N 0.334 120.221 119.950 -0.105 0.000 2.779 1099 F HA 0.758 5.285 4.527 -0.001 0.000 0.316 1099 F C -1.171 174.474 175.800 -0.259 0.000 1.164 1099 F CA -1.448 56.387 58.000 -0.275 0.000 0.924 1099 F CB 1.612 40.351 39.000 -0.435 0.000 1.348 1099 F HN 0.220 nan 8.300 nan 0.000 0.467 1100 R N 0.376 120.817 120.500 -0.099 0.000 2.564 1100 R HA 0.370 4.709 4.340 -0.001 0.000 0.284 1100 R C -2.406 173.707 176.300 -0.311 0.000 1.031 1100 R CA -0.819 55.172 56.100 -0.181 0.000 0.904 1100 R CB 2.452 32.665 30.300 -0.144 0.000 1.199 1100 R HN 0.825 nan 8.270 nan 0.000 0.443 1101 Y N 2.650 122.677 120.300 -0.456 0.000 2.587 1101 Y HA 0.234 4.783 4.550 -0.002 0.000 0.328 1101 Y C -0.861 174.667 175.900 -0.621 0.000 0.980 1101 Y CA -0.665 57.214 58.100 -0.368 0.000 1.272 1101 Y CB 0.793 39.151 38.460 -0.170 0.000 1.094 1101 Y HN 0.452 nan 8.280 nan 0.000 0.503 1102 D N 7.862 127.848 120.400 -0.690 0.000 2.412 1102 D HA 0.276 4.915 4.640 -0.001 0.000 0.224 1102 D C -2.119 173.873 176.300 -0.513 0.000 1.093 1102 D CA -2.452 51.256 54.000 -0.486 0.000 0.850 1102 D CB 2.152 42.850 40.800 -0.169 0.000 1.046 1102 D HN 0.310 nan 8.370 nan 0.000 0.507 1103 P HA -0.099 nan 4.420 nan 0.000 0.222 1103 P C 1.172 178.316 177.300 -0.260 0.000 1.147 1103 P CA 0.796 63.602 63.100 -0.491 0.000 0.790 1103 P CB 0.143 31.393 31.700 -0.750 0.000 0.780 1104 R N -0.453 120.020 120.500 -0.045 0.000 2.235 1104 R HA 0.045 4.384 4.340 -0.001 0.000 0.213 1104 R C 1.797 178.158 176.300 0.102 0.000 1.059 1104 R CA 0.834 57.052 56.100 0.195 0.000 0.997 1104 R CB -1.316 29.157 30.300 0.288 0.000 0.884 1104 R HN 0.255 nan 8.270 nan 0.000 0.462 1105 L N 0.988 122.188 121.223 -0.038 0.000 2.072 1105 L HA -0.014 4.325 4.340 -0.001 0.000 0.205 1105 L C 2.814 179.640 176.870 -0.072 0.000 1.079 1105 L CA 1.211 56.003 54.840 -0.081 0.000 0.752 1105 L CB -0.616 41.325 42.059 -0.197 0.000 0.906 1105 L HN 0.270 nan 8.230 nan 0.000 0.436 1106 A N 0.373 123.131 122.820 -0.105 0.000 1.902 1106 A HA -0.184 4.136 4.320 -0.001 0.000 0.217 1106 A C 2.522 180.241 177.584 0.225 0.000 1.181 1106 A CA 1.691 53.750 52.037 0.035 0.000 0.623 1106 A CB -0.671 18.376 19.000 0.078 0.000 0.818 1106 A HN 0.395 nan 8.150 nan 0.000 0.443 1107 A N -0.054 122.923 122.820 0.262 0.000 2.024 1107 A HA -0.160 4.160 4.320 -0.001 0.000 0.220 1107 A C 1.782 179.478 177.584 0.186 0.000 1.164 1107 A CA 1.544 53.754 52.037 0.288 0.000 0.643 1107 A CB -0.479 18.761 19.000 0.399 0.000 0.806 1107 A HN 0.803 nan 8.150 nan 0.000 0.451 1108 Q N -2.194 117.697 119.800 0.152 0.000 2.263 1108 Q HA 0.453 4.793 4.340 -0.001 0.000 0.337 1108 Q C 0.714 176.789 176.000 0.126 0.000 0.906 1108 Q CA 0.125 55.998 55.803 0.116 0.000 1.124 1108 Q CB -0.277 28.513 28.738 0.088 0.000 1.255 1108 Q HN 0.776 nan 8.270 nan 0.000 0.435 1109 G N 1.321 110.239 108.800 0.197 0.000 2.196 1109 G HA2 -0.342 3.617 3.960 -0.001 0.000 0.268 1109 G HA3 -0.342 3.617 3.960 -0.001 0.000 0.268 1109 G C 0.069 175.169 174.900 0.334 0.000 0.975 1109 G CA 0.809 46.077 45.100 0.279 0.000 0.648 1109 G HN 0.408 nan 8.290 nan 0.000 0.538 1110 K N 0.042 120.500 120.400 0.097 0.000 2.132 1110 K HA 0.358 4.677 4.320 -0.001 0.000 0.241 1110 K C 0.136 176.335 176.600 -0.668 0.000 1.000 1110 K CA -0.852 55.373 56.287 -0.102 0.000 0.911 1110 K CB 0.479 32.923 32.500 -0.094 0.000 1.093 1110 K HN 0.093 nan 8.250 nan 0.000 0.460 1111 N N 2.729 121.019 118.700 -0.683 0.000 2.452 1111 N HA 0.027 4.766 4.740 -0.001 0.000 0.266 1111 N C -1.721 173.405 175.510 -0.640 0.000 1.175 1111 N CA -1.675 50.806 53.050 -0.949 0.000 0.945 1111 N CB 0.861 39.106 38.487 -0.403 0.000 1.063 1111 N HN 0.298 nan 8.380 nan 0.000 0.472 1112 P HA -0.099 nan 4.420 nan 0.000 0.220 1112 P C 0.195 177.134 177.300 -0.602 0.000 1.148 1112 P CA 0.716 63.387 63.100 -0.715 0.000 0.803 1112 P CB 0.102 31.178 31.700 -1.039 0.000 0.782 1113 F N 1.619 121.266 119.950 -0.504 0.000 2.411 1113 F HA 0.310 4.836 4.527 -0.001 0.000 0.350 1113 F C 0.107 175.787 175.800 -0.200 0.000 1.114 1113 F CA -0.382 57.457 58.000 -0.269 0.000 1.135 1113 F CB 0.740 39.654 39.000 -0.143 0.000 1.120 1113 F HN -0.179 nan 8.300 nan 0.000 0.495 1114 Q N 6.216 125.556 119.800 -0.767 0.000 2.337 1114 Q HA 0.450 4.789 4.340 -0.001 0.000 0.270 1114 Q C -1.280 174.367 176.000 -0.590 0.000 1.043 1114 Q CA -0.792 54.721 55.803 -0.483 0.000 0.794 1114 Q CB 2.875 31.448 28.738 -0.275 0.000 1.281 1114 Q HN 0.669 nan 8.270 nan 0.000 0.446 1115 L N 2.556 123.591 121.223 -0.314 0.000 2.305 1115 L HA 0.233 4.573 4.340 -0.001 0.000 0.281 1115 L C -0.084 176.767 176.870 -0.032 0.000 1.085 1115 L CA 0.026 54.771 54.840 -0.158 0.000 0.813 1115 L CB 0.848 42.874 42.059 -0.056 0.000 1.157 1115 L HN 0.776 nan 8.230 nan 0.000 0.436 1116 D N 0.625 121.041 120.400 0.026 0.000 2.407 1116 D HA 0.081 4.720 4.640 -0.001 0.000 0.208 1116 D C 0.224 176.615 176.300 0.151 0.000 1.083 1116 D CA 0.316 54.367 54.000 0.084 0.000 0.844 1116 D CB 0.693 41.544 40.800 0.086 0.000 0.967 1116 D HN 0.511 nan 8.370 nan 0.000 0.506 1117 S N -0.758 115.032 115.700 0.149 0.000 2.634 1117 S HA 0.642 5.111 4.470 -0.001 0.000 0.296 1117 S C -0.118 174.641 174.600 0.265 0.000 1.104 1117 S CA -0.908 57.375 58.200 0.139 0.000 0.920 1117 S CB 2.576 65.714 63.200 -0.104 0.000 1.111 1117 S HN -0.242 nan 8.310 nan 0.000 0.493 1118 K N 0.550 121.047 120.400 0.161 0.000 2.098 1118 K HA 0.708 5.028 4.320 -0.001 0.000 0.244 1118 K C 0.404 176.829 176.600 -0.291 0.000 1.014 1118 K CA -0.449 55.889 56.287 0.085 0.000 0.917 1118 K CB 0.501 33.028 32.500 0.046 0.000 1.072 1118 K HN 0.823 nan 8.250 nan 0.000 0.477 1119 A N 1.823 124.332 122.820 -0.518 0.000 2.429 1119 A HA 0.174 4.493 4.320 -0.001 0.000 0.242 1119 A C -2.133 175.049 177.584 -0.670 0.000 1.088 1119 A CA -0.879 50.464 52.037 -1.157 0.000 0.784 1119 A CB -0.706 17.979 19.000 -0.525 0.000 1.038 1119 A HN 0.431 nan 8.150 nan 0.000 0.501 1120 P HA 0.003 nan 4.420 nan 0.000 0.260 1120 P C -0.292 176.897 177.300 -0.185 0.000 1.172 1120 P CA 0.611 63.532 63.100 -0.299 0.000 0.760 1120 P CB 0.428 32.004 31.700 -0.206 0.000 0.773 1121 D N 2.376 122.700 120.400 -0.128 0.000 2.339 1121 D HA 0.066 4.705 4.640 -0.001 0.000 0.217 1121 D C 1.294 177.565 176.300 -0.048 0.000 1.050 1121 D CA 0.411 54.366 54.000 -0.075 0.000 0.856 1121 D CB -0.540 40.231 40.800 -0.048 0.000 0.922 1121 D HN 0.532 nan 8.370 nan 0.000 0.518 1122 G N 0.293 109.063 108.800 -0.050 0.000 2.157 1122 G HA2 -0.319 3.640 3.960 -0.001 0.000 0.248 1122 G HA3 -0.319 3.640 3.960 -0.001 0.000 0.248 1122 G C 0.933 175.825 174.900 -0.013 0.000 0.979 1122 G CA 0.590 45.675 45.100 -0.026 0.000 0.650 1122 G HN 0.680 nan 8.290 nan 0.000 0.529 1123 S N -0.355 115.335 115.700 -0.017 0.000 2.605 1123 S HA 0.301 4.771 4.470 -0.001 0.000 0.217 1123 S C 2.238 176.856 174.600 0.029 0.000 0.958 1123 S CA 1.053 59.257 58.200 0.006 0.000 0.919 1123 S CB 0.252 63.458 63.200 0.010 0.000 0.780 1123 S HN 1.074 nan 8.310 nan 0.000 0.507 1124 V N 1.390 121.312 119.914 0.012 0.000 2.231 1124 V HA -0.289 3.830 4.120 -0.001 0.000 0.250 1124 V C 2.710 178.829 176.094 0.042 0.000 1.058 1124 V CA 2.339 64.663 62.300 0.040 0.000 1.022 1124 V CB -1.468 30.371 31.823 0.027 0.000 0.640 1124 V HN 0.572 nan 8.190 nan 0.000 0.445 1125 E N 1.278 121.483 120.200 0.008 0.000 2.065 1125 E HA -0.284 4.065 4.350 -0.001 0.000 0.201 1125 E C 2.230 178.819 176.600 -0.019 0.000 1.016 1125 E CA 2.269 58.660 56.400 -0.015 0.000 0.818 1125 E CB -0.416 29.283 29.700 -0.002 0.000 0.749 1125 E HN 0.840 nan 8.360 nan 0.000 0.453 1126 E N -0.141 120.066 120.200 0.012 0.000 2.106 1126 E HA -0.204 4.145 4.350 -0.001 0.000 0.192 1126 E C 2.242 178.848 176.600 0.010 0.000 0.984 1126 E CA 1.053 57.460 56.400 0.012 0.000 0.806 1126 E CB -0.843 28.874 29.700 0.029 0.000 0.750 1126 E HN 0.423 nan 8.360 nan 0.000 0.458 1127 F N 2.555 122.437 119.950 -0.113 0.000 2.095 1127 F HA -0.155 4.371 4.527 -0.001 0.000 0.298 1127 F C 2.168 177.845 175.800 -0.205 0.000 1.104 1127 F CA 1.431 59.338 58.000 -0.155 0.000 1.232 1127 F CB -0.308 38.564 39.000 -0.213 0.000 0.987 1127 F HN -0.120 nan 8.300 nan 0.000 0.475 1128 L N -0.635 120.342 121.223 -0.410 0.000 2.005 1128 L HA -0.230 4.110 4.340 -0.001 0.000 0.207 1128 L C 2.510 179.223 176.870 -0.262 0.000 1.072 1128 L CA 1.035 55.489 54.840 -0.644 0.000 0.744 1128 L CB -0.774 40.868 42.059 -0.696 0.000 0.895 1128 L HN 0.155 nan 8.230 nan 0.000 0.433 1129 M N -0.194 119.323 119.600 -0.140 0.000 2.539 1129 M HA -0.096 4.384 4.480 -0.001 0.000 0.261 1129 M C 2.087 178.361 176.300 -0.043 0.000 1.069 1129 M CA 1.105 56.380 55.300 -0.043 0.000 1.081 1129 M CB -1.109 31.475 32.600 -0.026 0.000 1.412 1129 M HN 0.286 nan 8.290 nan 0.000 0.482 1130 A N -0.465 122.297 122.820 -0.097 0.000 2.251 1130 A HA 0.051 4.370 4.320 -0.001 0.000 0.209 1130 A C 0.687 178.224 177.584 -0.078 0.000 1.187 1130 A CA 0.174 52.163 52.037 -0.080 0.000 0.823 1130 A CB -0.047 18.900 19.000 -0.088 0.000 0.846 1130 A HN 0.508 nan 8.150 nan 0.000 0.486 1131 Q N -0.538 119.227 119.800 -0.059 0.000 2.333 1131 Q HA 0.250 4.589 4.340 -0.001 0.000 0.267 1131 Q C 0.302 176.319 176.000 0.028 0.000 1.012 1131 Q CA -0.628 55.168 55.803 -0.010 0.000 0.824 1131 Q CB 1.412 30.167 28.738 0.029 0.000 1.290 1131 Q HN 0.440 nan 8.270 nan 0.000 0.449 1132 N N 2.265 120.954 118.700 -0.019 0.000 2.223 1132 N HA -0.175 4.564 4.740 -0.001 0.000 0.185 1132 N C 1.344 176.811 175.510 -0.073 0.000 1.016 1132 N CA 1.059 54.090 53.050 -0.032 0.000 0.863 1132 N CB 0.342 38.804 38.487 -0.041 0.000 0.983 1132 N HN 0.558 nan 8.380 nan 0.000 0.429 1133 R N -0.966 119.440 120.500 -0.157 0.000 2.249 1133 R HA -0.090 4.249 4.340 -0.001 0.000 0.230 1133 R C 1.150 177.179 176.300 -0.451 0.000 1.121 1133 R CA 1.298 57.202 56.100 -0.327 0.000 0.997 1133 R CB -0.473 29.551 30.300 -0.461 0.000 0.867 1133 R HN 0.239 nan 8.270 nan 0.000 0.465 1134 F N 0.333 120.259 119.950 -0.040 0.000 2.514 1134 F HA 0.384 4.910 4.527 -0.001 0.000 0.281 1134 F C 2.637 178.427 175.800 -0.017 0.000 1.060 1134 F CA 0.257 58.243 58.000 -0.023 0.000 1.397 1134 F CB -0.157 38.812 39.000 -0.052 0.000 1.129 1134 F HN 0.039 nan 8.300 nan 0.000 0.620 1135 A N 0.607 123.514 122.820 0.144 0.000 1.972 1135 A HA -0.126 4.193 4.320 -0.001 0.000 0.219 1135 A C 2.190 179.793 177.584 0.031 0.000 1.169 1135 A CA 1.956 54.035 52.037 0.070 0.000 0.635 1135 A CB -1.308 17.712 19.000 0.035 0.000 0.810 1135 A HN 0.271 nan 8.150 nan 0.000 0.446 1136 V N -2.171 117.748 119.914 0.008 0.000 2.515 1136 V HA -0.178 3.941 4.120 -0.001 0.000 0.250 1136 V C 2.219 178.312 176.094 -0.002 0.000 1.058 1136 V CA 1.624 63.914 62.300 -0.016 0.000 1.064 1136 V CB -0.985 30.819 31.823 -0.032 0.000 0.675 1136 V HN 0.467 nan 8.190 nan 0.000 0.461 1137 L N 0.490 121.746 121.223 0.054 0.000 2.056 1137 L HA -0.169 4.171 4.340 -0.001 0.000 0.207 1137 L C 2.538 179.469 176.870 0.101 0.000 1.078 1137 L CA 2.650 57.569 54.840 0.131 0.000 0.749 1137 L CB -0.551 41.608 42.059 0.166 0.000 0.901 1137 L HN 0.459 nan 8.230 nan 0.000 0.433 1138 D N -0.256 120.191 120.400 0.078 0.000 2.123 1138 D HA -0.206 4.433 4.640 -0.001 0.000 0.196 1138 D C 2.263 178.564 176.300 0.002 0.000 0.992 1138 D CA 1.297 55.331 54.000 0.055 0.000 0.833 1138 D CB 0.174 41.006 40.800 0.052 0.000 0.954 1138 D HN 0.139 nan 8.370 nan 0.000 0.455 1139 R N -0.541 119.940 120.500 -0.031 0.000 2.148 1139 R HA 0.084 4.423 4.340 -0.001 0.000 0.223 1139 R C 2.016 178.223 176.300 -0.155 0.000 1.088 1139 R CA 1.005 57.062 56.100 -0.071 0.000 0.985 1139 R CB 0.071 30.332 30.300 -0.066 0.000 0.880 1139 R HN 0.091 nan 8.270 nan 0.000 0.451 1140 S N -0.556 114.994 115.700 -0.251 0.000 2.483 1140 S HA 0.178 4.647 4.470 -0.001 0.000 0.221 1140 S C 0.120 174.162 174.600 -0.930 0.000 1.030 1140 S CA 0.302 58.140 58.200 -0.603 0.000 0.925 1140 S CB 0.484 63.231 63.200 -0.755 0.000 0.795 1140 S HN 0.138 nan 8.310 nan 0.000 0.511 1141 F N 1.373 121.330 119.950 0.012 0.000 2.627 1141 F HA 0.317 4.843 4.527 -0.001 0.000 0.344 1141 F C -2.026 173.786 175.800 0.021 0.000 1.505 1141 F CA -1.768 56.241 58.000 0.016 0.000 1.111 1141 F CB 1.268 40.278 39.000 0.017 0.000 1.585 1141 F HN -0.053 nan 8.300 nan 0.000 0.582 1142 P HA -0.251 nan 4.420 nan 0.000 0.217 1142 P C 1.029 178.384 177.300 0.092 0.000 1.158 1142 P CA 1.880 65.028 63.100 0.080 0.000 0.887 1142 P CB 0.459 32.184 31.700 0.042 0.000 0.792 1143 E N -0.086 120.175 120.200 0.102 0.000 2.005 1143 E HA -0.191 4.158 4.350 -0.001 0.000 0.198 1143 E C 1.941 178.591 176.600 0.082 0.000 1.010 1143 E CA 1.605 58.053 56.400 0.081 0.000 0.825 1143 E CB -0.549 29.196 29.700 0.076 0.000 0.769 1143 E HN 0.240 nan 8.360 nan 0.000 0.456 1144 D N 0.525 120.984 120.400 0.099 0.000 2.123 1144 D HA -0.172 4.467 4.640 -0.001 0.000 0.196 1144 D C 1.828 178.186 176.300 0.097 0.000 0.992 1144 D CA 1.435 55.482 54.000 0.077 0.000 0.833 1144 D CB -0.435 40.392 40.800 0.046 0.000 0.954 1144 D HN 0.221 nan 8.370 nan 0.000 0.455 1145 A N 0.792 123.691 122.820 0.131 0.000 1.908 1145 A HA -0.266 4.053 4.320 -0.001 0.000 0.218 1145 A C 2.048 179.692 177.584 0.100 0.000 1.181 1145 A CA 1.932 54.047 52.037 0.131 0.000 0.627 1145 A CB -0.571 18.511 19.000 0.136 0.000 0.818 1145 A HN 0.195 nan 8.150 nan 0.000 0.445 1146 K N -0.635 119.812 120.400 0.079 0.000 2.026 1146 K HA -0.165 4.155 4.320 -0.001 0.000 0.208 1146 K C 2.369 179.002 176.600 0.056 0.000 1.048 1146 K CA 1.449 57.771 56.287 0.058 0.000 0.929 1146 K CB -0.238 32.290 32.500 0.048 0.000 0.713 1146 K HN 0.425 nan 8.250 nan 0.000 0.439 1147 R N 0.536 121.070 120.500 0.056 0.000 2.070 1147 R HA -0.093 4.246 4.340 -0.001 0.000 0.233 1147 R C 2.483 178.821 176.300 0.063 0.000 1.137 1147 R CA 1.606 57.735 56.100 0.049 0.000 0.945 1147 R CB -0.314 30.011 30.300 0.041 0.000 0.845 1147 R HN 0.225 nan 8.270 nan 0.000 0.430 1148 L N 0.025 121.297 121.223 0.081 0.000 2.046 1148 L HA -0.192 4.147 4.340 -0.001 0.000 0.208 1148 L C 2.615 179.553 176.870 0.114 0.000 1.077 1148 L CA 1.426 56.330 54.840 0.106 0.000 0.747 1148 L CB -0.397 41.741 42.059 0.131 0.000 0.896 1148 L HN 0.194 nan 8.230 nan 0.000 0.432 1149 R N -0.174 120.383 120.500 0.095 0.000 2.115 1149 R HA -0.070 4.269 4.340 -0.001 0.000 0.230 1149 R C 2.397 178.733 176.300 0.060 0.000 1.111 1149 R CA 1.099 57.235 56.100 0.060 0.000 0.976 1149 R CB -0.368 29.949 30.300 0.027 0.000 0.870 1149 R HN 0.358 nan 8.270 nan 0.000 0.445 1150 A N 1.110 123.968 122.820 0.062 0.000 1.873 1150 A HA -0.226 4.094 4.320 -0.001 0.000 0.215 1150 A C 2.118 179.759 177.584 0.095 0.000 1.186 1150 A CA 1.200 53.275 52.037 0.063 0.000 0.616 1150 A CB -0.459 18.566 19.000 0.043 0.000 0.823 1150 A HN 0.320 nan 8.150 nan 0.000 0.442 1151 Q N -0.269 119.590 119.800 0.098 0.000 2.061 1151 Q HA -0.159 4.180 4.340 -0.001 0.000 0.204 1151 Q C 1.961 178.057 176.000 0.161 0.000 0.984 1151 Q CA 2.157 58.040 55.803 0.133 0.000 0.846 1151 Q CB -0.299 28.505 28.738 0.111 0.000 0.902 1151 Q HN 0.366 nan 8.270 nan 0.000 0.421 1152 V N 0.899 120.898 119.914 0.140 0.000 2.282 1152 V HA -0.338 3.781 4.120 -0.001 0.000 0.249 1152 V C 2.345 178.520 176.094 0.135 0.000 1.057 1152 V CA 1.962 64.353 62.300 0.151 0.000 1.032 1152 V CB -1.067 30.851 31.823 0.158 0.000 0.645 1152 V HN 0.579 nan 8.190 nan 0.000 0.447 1153 A N -1.299 121.591 122.820 0.117 0.000 1.940 1153 A HA -0.301 4.018 4.320 -0.001 0.000 0.219 1153 A C 2.245 179.896 177.584 0.112 0.000 1.176 1153 A CA 2.065 54.161 52.037 0.099 0.000 0.631 1153 A CB -0.876 18.171 19.000 0.080 0.000 0.814 1153 A HN 0.747 nan 8.150 nan 0.000 0.446 1154 H N -0.173 118.923 119.070 0.043 0.000 2.357 1154 H HA -0.078 4.477 4.556 -0.001 0.000 0.301 1154 H C 1.911 177.262 175.328 0.039 0.000 1.082 1154 H CA 1.669 57.738 56.048 0.036 0.000 1.342 1154 H CB 0.086 29.866 29.762 0.030 0.000 1.389 1154 H HN 0.667 nan 8.280 nan 0.000 0.511 1155 E N 0.666 120.845 120.200 -0.035 0.000 2.051 1155 E HA -0.174 4.175 4.350 -0.001 0.000 0.192 1155 E C 2.489 179.044 176.600 -0.074 0.000 0.991 1155 E CA 1.410 57.762 56.400 -0.081 0.000 0.799 1155 E CB -0.137 29.578 29.700 0.024 0.000 0.748 1155 E HN 0.466 nan 8.360 nan 0.000 0.449 1156 L N 0.079 121.298 121.223 -0.007 0.000 2.201 1156 L HA -0.016 4.323 4.340 -0.001 0.000 0.212 1156 L C 1.831 178.717 176.870 0.026 0.000 1.105 1156 L CA 1.949 56.800 54.840 0.018 0.000 0.775 1156 L CB -0.438 41.657 42.059 0.059 0.000 0.913 1156 L HN -0.091 nan 8.230 nan 0.000 0.440 1157 D N 0.117 120.506 120.400 -0.018 0.000 2.123 1157 D HA -0.143 4.496 4.640 -0.001 0.000 0.200 1157 D C 1.976 178.263 176.300 -0.022 0.000 0.976 1157 D CA 1.297 55.292 54.000 -0.008 0.000 0.831 1157 D CB 0.065 40.854 40.800 -0.017 0.000 0.974 1157 D HN 0.133 nan 8.370 nan 0.000 0.469 1158 V N 0.312 120.138 119.914 -0.148 0.000 2.307 1158 V HA -0.171 3.948 4.120 -0.001 0.000 0.245 1158 V C 2.618 178.669 176.094 -0.071 0.000 1.045 1158 V CA 1.897 64.110 62.300 -0.145 0.000 1.024 1158 V CB -0.586 31.079 31.823 -0.262 0.000 0.651 1158 V HN 0.190 nan 8.190 nan 0.000 0.449 1159 R N -0.687 119.775 120.500 -0.063 0.000 2.083 1159 R HA -0.230 4.109 4.340 -0.001 0.000 0.237 1159 R C 2.210 178.491 176.300 -0.031 0.000 1.137 1159 R CA 2.209 58.274 56.100 -0.058 0.000 0.951 1159 R CB -0.490 29.781 30.300 -0.048 0.000 0.851 1159 R HN 0.454 nan 8.270 nan 0.000 0.434 1160 F N 1.331 121.244 119.950 -0.063 0.000 2.134 1160 F HA -0.167 4.359 4.527 -0.001 0.000 0.299 1160 F C 1.982 177.765 175.800 -0.027 0.000 1.097 1160 F CA 1.741 59.723 58.000 -0.029 0.000 1.264 1160 F CB -0.013 38.977 39.000 -0.017 0.000 1.001 1160 F HN -0.040 nan 8.300 nan 0.000 0.479 1161 K N 0.106 120.585 120.400 0.132 0.000 2.044 1161 K HA -0.236 4.084 4.320 -0.001 0.000 0.210 1161 K C 1.973 178.546 176.600 -0.045 0.000 1.049 1161 K CA 2.120 58.444 56.287 0.063 0.000 0.927 1161 K CB -0.311 32.217 32.500 0.047 0.000 0.713 1161 K HN 0.404 nan 8.250 nan 0.000 0.443 1162 E N 0.686 120.829 120.200 -0.095 0.000 2.077 1162 E HA -0.172 4.177 4.350 -0.001 0.000 0.193 1162 E C 2.067 178.526 176.600 -0.235 0.000 0.989 1162 E CA 0.956 57.270 56.400 -0.143 0.000 0.800 1162 E CB -0.109 29.491 29.700 -0.167 0.000 0.746 1162 E HN 0.256 nan 8.360 nan 0.000 0.452 1163 L N 1.003 122.032 121.223 -0.322 0.000 2.131 1163 L HA -0.186 4.154 4.340 -0.001 0.000 0.210 1163 L C 2.333 179.035 176.870 -0.280 0.000 1.092 1163 L CA 1.088 55.679 54.840 -0.415 0.000 0.759 1163 L CB -0.416 41.398 42.059 -0.408 0.000 0.903 1163 L HN 0.146 nan 8.230 nan 0.000 0.435 1164 E N -0.591 119.447 120.200 -0.269 0.000 2.051 1164 E HA -0.275 4.074 4.350 -0.001 0.000 0.192 1164 E C 2.054 178.617 176.600 -0.062 0.000 0.991 1164 E CA 1.451 57.772 56.400 -0.132 0.000 0.799 1164 E CB -0.149 29.530 29.700 -0.034 0.000 0.748 1164 E HN 0.505 nan 8.360 nan 0.000 0.449 1165 H N 0.217 119.217 119.070 -0.118 0.000 2.423 1165 H HA 0.014 4.569 4.556 -0.002 0.000 0.297 1165 H C 2.013 177.272 175.328 -0.115 0.000 1.075 1165 H CA 1.294 57.287 56.048 -0.092 0.000 1.342 1165 H CB 0.099 29.805 29.762 -0.092 0.000 1.395 1165 H HN 0.047 nan 8.280 nan 0.000 0.530 1166 M N -0.570 118.894 119.600 -0.227 0.000 2.086 1166 M HA -0.143 4.336 4.480 -0.001 0.000 0.261 1166 M C 2.508 178.704 176.300 -0.172 0.000 1.067 1166 M CA 1.581 56.673 55.300 -0.347 0.000 1.116 1166 M CB -0.182 31.908 32.600 -0.850 0.000 1.348 1166 M HN 0.480 nan 8.290 nan 0.000 0.407 1167 A N -0.252 122.574 122.820 0.010 0.000 2.067 1167 A HA 0.080 4.400 4.320 -0.001 0.000 0.219 1167 A C 2.035 179.604 177.584 -0.026 0.000 1.158 1167 A CA 1.633 53.750 52.037 0.133 0.000 0.661 1167 A CB -0.585 18.503 19.000 0.146 0.000 0.801 1167 A HN 0.521 nan 8.150 nan 0.000 0.452 1168 A N -1.492 121.249 122.820 -0.133 0.000 2.308 1168 A HA 0.354 4.673 4.320 -0.001 0.000 0.217 1168 A C 1.175 178.630 177.584 -0.216 0.000 1.216 1168 A CA 0.705 52.650 52.037 -0.153 0.000 0.864 1168 A CB -0.451 18.459 19.000 -0.151 0.000 0.902 1168 A HN 0.322 nan 8.150 nan 0.000 0.499 1169 T N 0.810 115.212 114.554 -0.254 0.000 2.868 1169 T HA 0.280 4.630 4.350 -0.001 0.000 0.292 1169 T C 0.749 175.502 174.700 0.088 0.000 1.028 1169 T CA 0.422 62.427 62.100 -0.158 0.000 1.059 1169 T CB 0.232 69.034 68.868 -0.110 0.000 0.991 1169 T HN 0.569 nan 8.240 nan 0.000 0.531 1170 N N 1.978 120.742 118.700 0.107 0.000 2.241 1170 N HA 0.213 4.952 4.740 -0.001 0.000 0.238 1170 N C -0.867 174.563 175.510 -0.134 0.000 1.244 1170 N CA -0.288 52.847 53.050 0.143 0.000 0.880 1170 N CB 0.387 38.900 38.487 0.042 0.000 1.179 1170 N HN 0.299 nan 8.380 nan 0.000 0.513 1171 I N 2.199 122.763 120.570 -0.011 0.000 2.388 1171 I HA 0.396 4.565 4.170 -0.001 0.000 0.281 1171 I C -1.078 175.054 176.117 0.026 0.000 1.046 1171 I CA -0.801 60.429 61.300 -0.116 0.000 1.187 1171 I CB -0.830 37.160 38.000 -0.017 0.000 1.351 1171 I HN 0.072 nan 8.210 nan 0.000 0.472 1172 F N 4.085 124.046 119.950 0.019 0.000 2.608 1172 F HA 0.561 5.088 4.527 -0.001 0.000 0.309 1172 F C 0.155 175.990 175.800 0.057 0.000 1.103 1172 F CA -1.170 56.853 58.000 0.038 0.000 0.954 1172 F CB 0.886 39.902 39.000 0.027 0.000 1.267 1172 F HN 0.324 nan 8.300 nan 0.000 0.444 1173 E N 1.152 121.513 120.200 0.269 0.000 2.392 1173 E HA 0.185 4.534 4.350 -0.001 0.000 0.264 1173 E C -0.314 176.456 176.600 0.284 0.000 1.024 1173 E CA -0.324 56.203 56.400 0.213 0.000 0.903 1173 E CB 1.563 31.387 29.700 0.207 0.000 0.963 1173 E HN 0.656 nan 8.360 nan 0.000 0.432 1174 S N 1.952 117.783 115.700 0.218 0.000 2.593 1174 S HA 0.325 4.794 4.470 -0.001 0.000 0.269 1174 S C -0.877 173.909 174.600 0.312 0.000 1.334 1174 S CA -0.638 57.704 58.200 0.237 0.000 1.015 1174 S CB 0.122 63.406 63.200 0.140 0.000 0.912 1174 S HN 0.449 nan 8.310 nan 0.000 0.541 1175 F N 2.123 122.158 119.950 0.141 0.000 2.520 1175 F HA 0.721 5.247 4.527 -0.001 0.000 0.322 1175 F C -0.515 175.346 175.800 0.101 0.000 1.103 1175 F CA -0.772 57.316 58.000 0.147 0.000 0.926 1175 F CB 1.596 40.710 39.000 0.190 0.000 1.154 1175 F HN 0.655 nan 8.300 nan 0.000 0.453 1176 A N 6.681 128.952 122.820 -0.916 0.000 2.457 1176 A HA 0.572 4.891 4.320 -0.001 0.000 0.283 1176 A C -2.349 174.659 177.584 -0.960 0.000 1.166 1176 A CA -1.272 50.310 52.037 -0.760 0.000 0.740 1176 A CB 0.756 19.562 19.000 -0.324 0.000 1.181 1176 A HN 0.602 nan 8.150 nan 0.000 0.446 1177 P HA 0.022 nan 4.420 nan 0.000 0.220 1177 P C 0.705 177.839 177.300 -0.278 0.000 1.144 1177 P CA 2.168 64.992 63.100 -0.460 0.000 0.800 1177 P CB 0.326 31.887 31.700 -0.231 0.000 0.772 1178 A N -3.003 119.661 122.820 -0.260 0.000 4.887 1178 A HA 0.600 4.919 4.320 -0.001 0.000 0.228 1178 A C -0.804 176.692 177.584 -0.147 0.000 0.933 1178 A CA -0.056 51.876 52.037 -0.174 0.000 0.598 1178 A CB -0.089 18.836 19.000 -0.124 0.000 1.909 1178 A HN 0.243 nan 8.150 nan 0.000 0.946 1179 G N -1.460 107.278 108.800 -0.103 0.000 2.673 1179 G HA2 0.661 4.620 3.960 -0.001 0.000 0.566 1179 G HA3 0.661 4.620 3.960 -0.001 0.000 0.566 1179 G C 0.644 175.506 174.900 -0.064 0.000 1.170 1179 G CA 0.900 45.951 45.100 -0.081 0.000 1.242 1179 G HN 2.991 nan 8.290 nan 0.000 0.568 1180 G N 1.139 109.909 108.800 -0.050 0.000 2.204 1180 G HA2 0.491 4.450 3.960 -0.001 0.000 0.153 1180 G HA3 0.491 4.450 3.960 -0.001 0.000 0.153 1180 G C 0.493 175.375 174.900 -0.031 0.000 1.295 1180 G CA 0.944 46.021 45.100 -0.039 0.000 1.257 1180 G HN 1.699 nan 8.290 nan 0.000 0.495 1181 K N -1.682 118.700 120.400 -0.029 0.000 8.616 1181 K HA 0.121 4.440 4.320 -0.001 0.000 0.323 1181 K C 0.944 177.536 176.600 -0.013 0.000 1.244 1181 K CA 1.813 58.088 56.287 -0.020 0.000 1.244 1181 K CB -1.678 30.813 32.500 -0.015 0.000 0.594 1181 K HN 2.898 nan 8.250 nan 0.000 0.795 1182 A N 1.026 123.841 122.820 -0.009 0.000 2.490 1182 A HA -0.101 4.219 4.320 -0.001 0.000 0.684 1182 A C -0.658 176.924 177.584 -0.004 0.000 0.174 1182 A CA 0.976 53.009 52.037 -0.007 0.000 0.057 1182 A CB -0.732 18.262 19.000 -0.009 0.000 3.963 1182 A HN 0.523 nan 8.150 nan 0.000 0.547 1183 D N -0.028 120.370 120.400 -0.003 0.000 2.304 1183 D HA 0.593 5.232 4.640 -0.001 0.000 0.250 1183 D C 0.500 176.798 176.300 -0.003 0.000 1.107 1183 D CA 1.849 55.848 54.000 -0.001 0.000 0.885 1183 D CB 0.992 41.791 40.800 -0.002 0.000 1.192 1183 D HN 2.018 nan 8.370 nan 0.000 0.436 1184 G N 1.026 109.825 108.800 -0.002 0.000 2.535 1184 G HA2 0.356 4.315 3.960 -0.001 0.000 0.662 1184 G HA3 0.356 4.315 3.960 -0.001 0.000 0.662 1184 G C -0.683 174.216 174.900 -0.001 0.000 1.417 1184 G CA -0.383 44.715 45.100 -0.003 0.000 0.866 1184 G HN 0.653 nan 8.290 nan 0.000 0.647 1185 S N -1.094 114.605 115.700 -0.001 0.000 2.709 1185 S HA 0.923 5.392 4.470 -0.001 0.000 0.302 1185 S C -0.804 173.796 174.600 0.001 0.000 1.127 1185 S CA -0.482 57.719 58.200 0.003 0.000 0.905 1185 S CB 2.521 65.723 63.200 0.003 0.000 1.151 1185 S HN 2.237 nan 8.310 nan 0.000 0.510 1186 V N 0.592 120.510 119.914 0.007 0.000 3.000 1186 V HA 0.498 4.618 4.120 -0.001 0.000 0.300 1186 V C -1.900 174.200 176.094 0.010 0.000 1.251 1186 V CA -0.601 61.700 62.300 0.003 0.000 0.972 1186 V CB 2.166 33.994 31.823 0.008 0.000 1.065 1186 V HN 1.161 nan 8.190 nan 0.000 0.431 1187 D N 3.038 123.423 120.400 -0.026 0.000 2.210 1187 D HA 0.315 4.955 4.640 -0.001 0.000 0.249 1187 D C 1.039 177.304 176.300 -0.057 0.000 1.062 1187 D CA -0.198 53.761 54.000 -0.069 0.000 0.891 1187 D CB 1.101 41.793 40.800 -0.180 0.000 1.186 1187 D HN 0.494 nan 8.370 nan 0.000 0.432 1188 F N 1.338 121.288 119.950 0.000 0.000 2.449 1188 F HA 0.152 4.678 4.527 -0.002 0.000 0.299 1188 F C 1.542 177.347 175.800 0.008 0.000 1.092 1188 F CA 0.646 58.647 58.000 0.003 0.000 1.446 1188 F CB -0.412 38.589 39.000 0.002 0.000 1.084 1188 F HN 0.295 nan 8.300 nan 0.000 0.567 1189 G N -0.183 108.377 108.800 -0.400 0.000 3.020 1189 G HA2 0.071 4.031 3.960 -0.001 0.000 0.217 1189 G HA3 0.071 4.031 3.960 -0.001 0.000 0.217 1189 G C 0.089 174.923 174.900 -0.110 0.000 1.144 1189 G CA -0.408 44.555 45.100 -0.228 0.000 0.760 1189 G HN 0.381 nan 8.290 nan 0.000 0.548 1190 E N 0.470 120.611 120.200 -0.097 0.000 2.415 1190 E HA 0.363 4.712 4.350 -0.001 0.000 0.260 1190 E C 1.298 177.885 176.600 -0.021 0.000 1.016 1190 E CA 0.526 56.892 56.400 -0.057 0.000 0.924 1190 E CB 0.509 30.180 29.700 -0.048 0.000 0.961 1190 E HN 0.246 nan 8.360 nan 0.000 0.459 1191 G N 2.557 111.344 108.800 -0.022 0.000 2.168 1191 G HA2 -0.354 3.606 3.960 -0.001 0.000 0.263 1191 G HA3 -0.354 3.606 3.960 -0.001 0.000 0.263 1191 G C 0.419 175.324 174.900 0.008 0.000 0.977 1191 G CA 0.111 45.206 45.100 -0.009 0.000 0.659 1191 G HN 0.769 nan 8.290 nan 0.000 0.533 1192 A N -0.512 122.321 122.820 0.021 0.000 2.425 1192 A HA 0.651 4.971 4.320 -0.001 0.000 0.242 1192 A C 1.121 178.733 177.584 0.046 0.000 1.077 1192 A CA 1.098 53.171 52.037 0.060 0.000 0.781 1192 A CB 0.334 19.389 19.000 0.091 0.000 1.020 1192 A HN 0.375 nan 8.150 nan 0.000 0.494 1193 E N 0.104 120.356 120.200 0.087 0.000 2.216 1193 E HA 0.127 4.476 4.350 -0.001 0.000 0.192 1193 E C -0.606 175.890 176.600 -0.174 0.000 0.988 1193 E CA 0.924 57.311 56.400 -0.021 0.000 0.834 1193 E CB -0.009 29.709 29.700 0.031 0.000 0.772 1193 E HN 0.623 nan 8.360 nan 0.000 0.479 1194 F N -1.115 118.842 119.950 0.011 0.000 2.618 1194 F HA 0.336 4.862 4.527 -0.002 0.000 0.332 1194 F C 0.056 175.866 175.800 0.016 0.000 1.061 1194 F CA -1.612 56.395 58.000 0.012 0.000 0.974 1194 F CB 0.792 39.801 39.000 0.014 0.000 1.310 1194 F HN -0.273 nan 8.300 nan 0.000 0.491 1195 c N 1.085 119.812 118.600 0.211 0.000 2.611 1195 c HA 0.148 4.717 4.570 -0.001 0.000 0.416 1195 c C 1.631 175.807 174.090 0.144 0.000 1.366 1195 c CA 0.196 56.600 56.329 0.127 0.000 1.761 1195 c CB -0.102 42.468 42.510 0.100 0.000 2.619 1195 c HN 0.898 nan 8.230 nan 0.000 0.606 1196 T N 1.941 116.568 114.554 0.122 0.000 3.023 1196 T HA 0.148 4.497 4.350 -0.001 0.000 0.253 1196 T C 0.708 175.540 174.700 0.220 0.000 1.038 1196 T CA 0.487 62.697 62.100 0.184 0.000 0.962 1196 T CB 0.002 68.980 68.868 0.184 0.000 1.018 1196 T HN 0.659 nan 8.240 nan 0.000 0.521 1197 R N 1.644 122.223 120.500 0.131 0.000 2.837 1197 R HA 0.466 4.806 4.340 -0.001 0.000 0.271 1197 R C -1.073 175.271 176.300 0.075 0.000 0.993 1197 R CA -0.905 55.267 56.100 0.121 0.000 0.931 1197 R CB 1.422 31.772 30.300 0.084 0.000 1.206 1197 R HN 0.215 nan 8.270 nan 0.000 0.474 1198 D N -0.684 119.753 120.400 0.062 0.000 2.478 1198 D HA 0.060 4.699 4.640 -0.001 0.000 0.274 1198 D C -0.114 176.205 176.300 0.030 0.000 1.234 1198 D CA -0.388 53.638 54.000 0.042 0.000 1.069 1198 D CB 0.455 41.276 40.800 0.034 0.000 1.113 1198 D HN 0.291 nan 8.370 nan 0.000 0.571 1199 D N -1.257 119.157 120.400 0.024 0.000 2.336 1199 D HA 0.109 4.748 4.640 -0.001 0.000 0.228 1199 D C -0.154 176.154 176.300 0.013 0.000 1.120 1199 D CA 0.082 54.092 54.000 0.017 0.000 0.839 1199 D CB -0.113 40.697 40.800 0.016 0.000 0.932 1199 D HN 0.218 nan 8.370 nan 0.000 0.509 1200 T N 0.901 115.463 114.554 0.014 0.000 2.913 1200 T HA 0.194 4.543 4.350 -0.001 0.000 0.287 1200 T C -1.487 173.217 174.700 0.007 0.000 1.008 1200 T CA -1.385 60.721 62.100 0.010 0.000 1.067 1200 T CB 2.086 70.960 68.868 0.011 0.000 0.996 1200 T HN -0.126 nan 8.240 nan 0.000 0.513 1201 P HA 0.091 nan 4.420 nan 0.000 0.225 1201 P C 1.351 178.649 177.300 -0.004 0.000 1.156 1201 P CA 0.811 63.909 63.100 -0.004 0.000 0.787 1201 P CB 0.087 31.781 31.700 -0.010 0.000 0.802 1202 M N -1.976 117.623 119.600 -0.002 0.000 2.175 1202 M HA -0.057 4.422 4.480 -0.001 0.000 0.264 1202 M C 1.888 178.196 176.300 0.013 0.000 1.063 1202 M CA 1.698 56.998 55.300 -0.000 0.000 1.119 1202 M CB -0.551 32.048 32.600 -0.002 0.000 1.377 1202 M HN -0.083 nan 8.290 nan 0.000 0.415 1203 M N -0.380 119.234 119.600 0.022 0.000 2.502 1203 M HA 0.213 4.693 4.480 -0.001 0.000 0.243 1203 M C 0.658 176.974 176.300 0.026 0.000 1.130 1203 M CA -0.264 55.060 55.300 0.040 0.000 1.055 1203 M CB -0.145 32.490 32.600 0.059 0.000 1.457 1203 M HN 0.117 nan 8.290 nan 0.000 0.488 1204 A N 2.265 125.092 122.820 0.011 0.000 2.546 1204 A HA 0.292 4.612 4.320 -0.001 0.000 0.243 1204 A C 0.204 177.787 177.584 -0.002 0.000 1.063 1204 A CA 0.435 52.472 52.037 0.001 0.000 0.757 1204 A CB 0.231 19.230 19.000 -0.003 0.000 0.991 1204 A HN 0.324 nan 8.150 nan 0.000 0.503 1205 R N 1.773 122.266 120.500 -0.011 0.000 2.836 1205 R HA 0.387 4.727 4.340 -0.001 0.000 0.269 1205 R C -2.277 174.010 176.300 -0.021 0.000 1.010 1205 R CA -1.969 54.122 56.100 -0.016 0.000 0.930 1205 R CB 0.401 30.688 30.300 -0.023 0.000 1.218 1205 R HN 0.371 nan 8.270 nan 0.000 0.473 1206 P HA -0.161 nan 4.420 nan 0.000 0.216 1206 P C 0.241 177.526 177.300 -0.026 0.000 1.157 1206 P CA 1.410 64.498 63.100 -0.021 0.000 0.880 1206 P CB 0.312 32.001 31.700 -0.020 0.000 0.791 1207 D N -1.331 119.049 120.400 -0.034 0.000 2.340 1207 D HA 0.019 4.658 4.640 -0.001 0.000 0.220 1207 D C 0.796 177.069 176.300 -0.045 0.000 1.039 1207 D CA 0.408 54.384 54.000 -0.040 0.000 0.866 1207 D CB -0.092 40.678 40.800 -0.049 0.000 0.913 1207 D HN 0.292 nan 8.370 nan 0.000 0.523 1208 S N -1.377 114.298 115.700 -0.041 0.000 2.655 1208 S HA 0.535 5.004 4.470 -0.001 0.000 0.265 1208 S C 1.304 175.887 174.600 -0.028 0.000 1.240 1208 S CA 0.127 58.303 58.200 -0.040 0.000 0.986 1208 S CB 2.066 65.245 63.200 -0.035 0.000 0.985 1208 S HN 0.209 nan 8.310 nan 0.000 0.562 1209 G N -0.821 107.965 108.800 -0.024 0.000 2.205 1209 G HA2 -0.171 3.788 3.960 -0.001 0.000 0.180 1209 G HA3 -0.171 3.788 3.960 -0.001 0.000 0.180 1209 G C -0.186 174.703 174.900 -0.018 0.000 1.004 1209 G CA -0.020 45.069 45.100 -0.017 0.000 0.670 1209 G HN 0.877 nan 8.290 nan 0.000 0.496 1210 E N 0.744 120.930 120.200 -0.024 0.000 2.392 1210 E HA 0.598 4.947 4.350 -0.001 0.000 0.259 1210 E C 0.897 177.484 176.600 -0.021 0.000 1.108 1210 E CA 0.063 56.448 56.400 -0.025 0.000 0.916 1210 E CB 0.807 30.488 29.700 -0.032 0.000 0.989 1210 E HN 0.621 nan 8.360 nan 0.000 0.432 1211 A N 2.084 124.891 122.820 -0.022 0.000 2.388 1211 A HA 0.419 4.738 4.320 -0.001 0.000 0.257 1211 A C -0.357 177.210 177.584 -0.029 0.000 1.095 1211 A CA -0.292 51.732 52.037 -0.022 0.000 0.791 1211 A CB -0.225 18.761 19.000 -0.023 0.000 1.029 1211 A HN 0.729 nan 8.150 nan 0.000 0.489 1212 c N 0.353 118.939 118.600 -0.024 0.000 3.311 1212 c HA 0.646 5.215 4.570 -0.001 0.000 0.325 1212 c C -0.714 173.358 174.090 -0.031 0.000 1.352 1212 c CA -1.038 55.270 56.329 -0.036 0.000 1.308 1212 c CB 1.134 43.637 42.510 -0.012 0.000 1.619 1212 c HN 0.840 nan 8.230 nan 0.000 0.469 1213 D N 0.939 121.290 120.400 -0.082 0.000 2.358 1213 D HA 0.092 4.731 4.640 -0.001 0.000 0.258 1213 D C 0.356 176.733 176.300 0.130 0.000 1.223 1213 D CA 0.746 54.712 54.000 -0.056 0.000 0.886 1213 D CB 1.064 41.666 40.800 -0.329 0.000 1.120 1213 D HN 0.778 nan 8.370 nan 0.000 0.482 1214 Q N 3.111 122.990 119.800 0.131 0.000 2.228 1214 Q HA 0.050 4.389 4.340 -0.001 0.000 0.211 1214 Q C -0.350 175.747 176.000 0.161 0.000 0.890 1214 Q CA -0.100 55.789 55.803 0.143 0.000 0.953 1214 Q CB -0.399 28.386 28.738 0.077 0.000 1.053 1214 Q HN 0.576 nan 8.270 nan 0.000 0.471 1215 N N -0.335 118.523 118.700 0.264 0.000 2.741 1215 N HA -0.202 4.537 4.740 -0.001 0.000 0.250 1215 N C -0.040 175.522 175.510 0.086 0.000 1.115 1215 N CA 0.740 53.888 53.050 0.162 0.000 0.724 1215 N CB -0.435 38.057 38.487 0.009 0.000 1.090 1215 N HN 0.295 nan 8.380 nan 0.000 0.558 1216 R N -0.584 119.970 120.500 0.090 0.000 2.362 1216 R HA 0.351 4.691 4.340 -0.001 0.000 0.227 1216 R C 1.243 177.576 176.300 0.054 0.000 0.905 1216 R CA 0.780 56.913 56.100 0.054 0.000 1.067 1216 R CB 0.511 30.837 30.300 0.043 0.000 1.078 1216 R HN 0.284 nan 8.270 nan 0.000 0.516 1217 A N 0.460 123.327 122.820 0.080 0.000 2.431 1217 A HA 0.450 4.769 4.320 -0.001 0.000 0.239 1217 A C 0.707 178.337 177.584 0.077 0.000 1.230 1217 A CA 0.338 52.416 52.037 0.069 0.000 0.928 1217 A CB 0.525 19.567 19.000 0.069 0.000 1.006 1217 A HN 0.327 nan 8.150 nan 0.000 0.520 1218 G N -1.123 107.726 108.800 0.081 0.000 2.685 1218 G HA2 -0.024 3.935 3.960 -0.001 0.000 0.387 1218 G HA3 -0.024 3.935 3.960 -0.001 0.000 0.387 1218 G C -0.009 174.952 174.900 0.101 0.000 1.324 1218 G CA -0.434 44.702 45.100 0.060 0.000 0.878 1218 G HN 0.570 nan 8.290 nan 0.000 0.527 1219 T N 0.073 114.659 114.554 0.052 0.000 2.791 1219 T HA 0.356 4.705 4.350 -0.001 0.000 0.323 1219 T C 2.043 176.841 174.700 0.163 0.000 1.082 1219 T CA 0.757 62.894 62.100 0.062 0.000 1.084 1219 T CB 0.748 69.623 68.868 0.012 0.000 0.992 1219 T HN 0.872 nan 8.240 nan 0.000 0.547 1220 S N 0.970 116.800 115.700 0.218 0.000 2.368 1220 S HA -0.120 4.349 4.470 -0.001 0.000 0.225 1220 S C 2.009 176.667 174.600 0.097 0.000 1.030 1220 S CA 1.436 59.754 58.200 0.198 0.000 0.999 1220 S CB -0.217 63.101 63.200 0.197 0.000 0.844 1220 S HN 0.697 nan 8.310 nan 0.000 0.459 1221 E N 1.091 121.334 120.200 0.070 0.000 2.046 1221 E HA -0.151 4.198 4.350 -0.001 0.000 0.190 1221 E C 2.291 178.913 176.600 0.038 0.000 0.982 1221 E CA 0.889 57.315 56.400 0.043 0.000 0.800 1221 E CB -0.258 29.459 29.700 0.029 0.000 0.756 1221 E HN 0.551 nan 8.360 nan 0.000 0.449 1222 Q N 0.992 120.816 119.800 0.040 0.000 2.096 1222 Q HA -0.221 4.118 4.340 -0.001 0.000 0.204 1222 Q C 2.252 178.274 176.000 0.036 0.000 0.982 1222 Q CA 1.478 57.301 55.803 0.033 0.000 0.850 1222 Q CB -0.137 28.619 28.738 0.031 0.000 0.901 1222 Q HN 0.366 nan 8.270 nan 0.000 0.422 1223 Q N -0.358 119.473 119.800 0.051 0.000 2.119 1223 Q HA -0.106 4.233 4.340 -0.001 0.000 0.201 1223 Q C 2.204 178.220 176.000 0.027 0.000 0.972 1223 Q CA 1.140 56.968 55.803 0.042 0.000 0.847 1223 Q CB -0.212 28.558 28.738 0.053 0.000 0.903 1223 Q HN 0.496 nan 8.270 nan 0.000 0.433 1224 G N 1.673 110.490 108.800 0.028 0.000 2.453 1224 G HA2 -0.341 3.618 3.960 -0.001 0.000 0.215 1224 G HA3 -0.341 3.618 3.960 -0.001 0.000 0.215 1224 G C 0.977 175.885 174.900 0.014 0.000 1.201 1224 G CA 1.301 46.412 45.100 0.018 0.000 0.784 1224 G HN 0.537 nan 8.290 nan 0.000 0.545 1225 D N 0.054 120.463 120.400 0.016 0.000 2.158 1225 D HA -0.161 4.479 4.640 -0.001 0.000 0.197 1225 D C 2.237 178.544 176.300 0.010 0.000 0.995 1225 D CA 1.246 55.254 54.000 0.012 0.000 0.846 1225 D CB -0.317 40.490 40.800 0.012 0.000 0.941 1225 D HN 0.216 nan 8.370 nan 0.000 0.456 1226 L N 0.196 121.427 121.223 0.013 0.000 2.056 1226 L HA -0.048 4.292 4.340 -0.001 0.000 0.207 1226 L C 2.378 179.253 176.870 0.008 0.000 1.078 1226 L CA 1.906 56.752 54.840 0.011 0.000 0.749 1226 L CB -1.228 40.839 42.059 0.014 0.000 0.901 1226 L HN 0.161 nan 8.230 nan 0.000 0.433 1227 S N -0.710 114.994 115.700 0.008 0.000 2.370 1227 S HA -0.281 4.188 4.470 -0.001 0.000 0.226 1227 S C 2.203 176.805 174.600 0.003 0.000 1.033 1227 S CA 1.794 59.996 58.200 0.004 0.000 1.011 1227 S CB -0.359 62.842 63.200 0.003 0.000 0.852 1227 S HN 0.546 nan 8.310 nan 0.000 0.457 1228 K N 0.407 120.810 120.400 0.004 0.000 2.026 1228 K HA -0.045 4.274 4.320 -0.001 0.000 0.208 1228 K C 2.228 178.830 176.600 0.003 0.000 1.048 1228 K CA 1.166 57.455 56.287 0.003 0.000 0.929 1228 K CB -0.176 32.326 32.500 0.004 0.000 0.713 1228 K HN 0.274 nan 8.250 nan 0.000 0.439 1229 R N -0.122 120.380 120.500 0.004 0.000 2.328 1229 R HA -0.047 4.292 4.340 -0.001 0.000 0.207 1229 R C 1.740 178.041 176.300 0.003 0.000 1.056 1229 R CA 1.493 57.595 56.100 0.003 0.000 1.016 1229 R CB 0.081 30.384 30.300 0.004 0.000 0.872 1229 R HN 0.467 nan 8.270 nan 0.000 0.471 1230 T N -2.637 111.918 114.554 0.002 0.000 2.978 1230 T HA 0.065 4.414 4.350 -0.001 0.000 0.248 1230 T C 1.262 175.962 174.700 0.001 0.000 1.018 1230 T CA 0.190 62.291 62.100 0.002 0.000 1.026 1230 T CB 0.263 69.132 68.868 0.002 0.000 1.032 1230 T HN 0.251 nan 8.240 nan 0.000 0.485 1231 K N 1.352 121.752 120.400 0.001 0.000 6.280 1231 K HA -0.436 3.883 4.320 -0.001 0.000 0.381 1231 K C 0.229 176.828 176.600 -0.001 0.000 0.627 1231 K CA 1.972 58.258 56.287 -0.000 0.000 1.297 1231 K CB -1.921 30.578 32.500 -0.000 0.000 0.809 1231 K HN 0.369 nan 8.250 nan 0.000 0.885 1232 K N 0.000 120.400 120.400 -0.001 0.000 2.780 1232 K HA 0.000 4.319 4.320 -0.001 0.000 0.191 1232 K CA 0.000 56.286 56.287 -0.001 0.000 0.838 1232 K CB 0.000 32.499 32.500 -0.001 0.000 1.064 1232 K HN 0.000 nan 8.250 nan 0.000 0.543